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The Simulation Of Vapor Liquid Equilibria In Ionic Systems
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Book Synopsis Phase Equilibria in Ionic Liquid Facilitated Liquid-Liquid Extractions by : Anand Bharti
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 191 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.
Book Synopsis Molecular Simulation of Fluids by : Richard J. Sadus
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
Book Synopsis Process Systems and Materials for CO2 Capture by : Athanasios I. Papadopoulos
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.
Book Synopsis Molecular Simulation and Industrial Applications by : Keith E. Gubbins
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.
Book Synopsis Encyclopedia of Ionic Liquids by : Suojiang Zhang
Download or read book Encyclopedia of Ionic Liquids written by Suojiang Zhang and published by Springer Nature. This book was released on 2023-02-03 with total page 1391 pages. Available in PDF, EPUB and Kindle. Book excerpt: The encyclopedia consists 13 subareas as follows: 1: Synthesis and Characterisation of Ionic Liquids (Section Editors: Prof. Fu-Wei Li and Prof. Zhen Li) 2: Physicochemical Properties of Ionic Liquids (Section Editors: Asso. Prof. Qing Zhou, Prof. Xingmei Lu and Prof. Xiaoyan Ji) 3: Computational and Theoretical Modeling of Ionic Liquids (Section Editors: Prof. Guang Feng and Prof. Peter T. Cummings) 4: Toxicology and Biodegradation of Ionic Liquids (Section Editors: Prof. Chunxi Li and Prof. Stefan Stolte) 5: Ionic Liquids in Electrochemistry (Section Editors: Prof. Yingying Lu, Prof. Houlong Zhuang and Prof. Chuan Zhao) 6. Ionic Liquids in Organic Reaction (Section Editors: Prof. Liang-Nian He and Prof. Bhalchandra M. Bhanage) 7. Ionic Liquids in Separation (Section Editors: Prof. Huabin Xing) 8. Ionic Liquids in Biomass and Biomolecules (Section Editors: Prof. Toshiyuki Itoh and Prof. Jian Sun) 9. Ionic Liquids in Materials Science (Section Editors: Prof. Sheng Dai and Prof. Tao Wang) 10. Ionic Liquids in Polymer Science (Section Editors: Asso. Prof. Jinming Zhang and Prof. Jun Zhang) 11. Ionic Liquids in Environmental Science (Section Editors: Prof. Tiancheng Mu, Prof. Arunprakash T. Karunanithi and Prof. Yingxiong Wang) 12. Ionic Liquids in Green Chemistry (Section Editors: Prof. Buxing Han and Prof. Peter Licence) 13. Emerging Applications of Ionic Liquids (Pharmacology, Food Science, Agriculture, Nuclear Science Technology, Optics) (Section Editors: Prof. Zhonghao Li and Prof. Maya Guncheva) This encyclopedia is systematic and comprehensive, with detailed descriptions about theory, technology, and industrial applications. This encyclopedia is valuable for students, researchers and industrial players, giving them a quick understanding and overview of ionic liquids in various aspects.
Book Synopsis Handbook of Physical Properties of Liquids and Gases by : N.B. Vargaftik
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.
Book Synopsis Handbook of Surfaces and Interfaces of Materials, Five-Volume Set by : Hari Singh Nalwa
Download or read book Handbook of Surfaces and Interfaces of Materials, Five-Volume Set written by Hari Singh Nalwa and published by Elsevier. This book was released on 2001-10-26 with total page 1915 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook brings together, under a single cover, all aspects of the chemistry, physics, and engineering of surfaces and interfaces of materials currently studied in academic and industrial research. It covers different experimental and theoretical aspects of surfaces and interfaces, their physical properties, and spectroscopic techniques that have been applied to a wide class of inorganic, organic, polymer, and biological materials. The diversified technological areas of surface science reflect the explosion of scientific information on surfaces and interfaces of materials and their spectroscopic characterization. The large volume of experimental data on chemistry, physics, and engineering aspects of materials surfaces and interfaces remains scattered in so many different periodicals, therefore this handbook compilation is needed.The information presented in this multivolume reference draws on two decades of pioneering research on the surfaces and interfaces of materials to offer a complete perspective on the topic. These five volumes-Surface and Interface Phenomena; Surface Characterization and Properties; Nanostructures, Micelles, and Colloids; Thin Films and Layers; Biointerfaces and Applications-provide multidisciplinary review chapters and summarize the current status of the field covering important scientific and technological developments made over past decades in surfaces and interfaces of materials and spectroscopic techniques with contributions from internationally recognized experts from all over the world. Fully cross-referenced, this book has clear, precise, and wide appeal as an essential reference source long due for the scientific community. The complete reference on the topic of surfaces and interfaces of materialsThe information presented in this multivolume reference draws on two decades of pioneering researchProvides multidisciplinary review chapters and summarizes the current status of the fieldCovers important scientific and technological developments made over past decades in surfaces and interfaces of materials and spectroscopic techniquesContributions from internationally recognized experts from all over the world
Book Synopsis Proceedings of the 1974 Summer Computer Simulation Conference by :
Download or read book Proceedings of the 1974 Summer Computer Simulation Conference written by and published by . This book was released on 1974 with total page 760 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Ionic Liquids by : Alexander Kokorin
Download or read book Ionic Liquids written by Alexander Kokorin and published by BoD – Books on Demand. This book was released on 2011-02-28 with total page 752 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ionic Liquids (ILs) are one of the most interesting and rapidly developing areas of modern physical chemistry, technologies and engineering. This book, consisting of 29 chapters gathered in 4 sections, reviews in detail and compiles information about some important physical-chemical properties of ILs and new practical approaches. This is the first book of a series of forthcoming publications on this field by this publisher. The first volume covers some aspects of synthesis, isolation, production, modification, the analysis methods and modeling to reveal the structures and properties of some room temperature ILs, as well as their new possible applications. The book will be of help to chemists, physicists, biologists, technologists and other experts in a variety of disciplines, both academic and industrial, as well as to students and PhD students. It may help to promote the progress in ILs development also.
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2008 with total page 1006 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Proceedings, Annual Convention by : Gas Processors Association
Download or read book Proceedings, Annual Convention written by Gas Processors Association and published by . This book was released on 1999 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis 10th International Symposium on Process Systems Engineering - PSE2009 by : Rita Maria de Brito Alves
Download or read book 10th International Symposium on Process Systems Engineering - PSE2009 written by Rita Maria de Brito Alves and published by Elsevier. This book was released on 2009-08-05 with total page 1230 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains the proceedings of the 10e of a series of international symposia on process systems engineering (PSE) initiated in 1982. The special focus of PSE09 is how PSE methods can support sustainable resource systems and emerging technologies in the areas of green engineering. * Contains fully searchable CD of all printed contributions * Focus on sustainable green engineering * 9 Plenary papers, 21 Keynote lectures by leading experts in the field
Book Synopsis Observation, Prediction and Simulation of Phase Transitions in Complex Fluids by : Marc Baus
Download or read book Observation, Prediction and Simulation of Phase Transitions in Complex Fluids written by Marc Baus and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 669 pages. Available in PDF, EPUB and Kindle. Book excerpt: Observation, Prediction and Simulation of Phase Transitions in Complex Fluids presents an overview of the phase transitions that occur in a variety of soft-matter systems: colloidal suspensions of spherical or rod-like particles and their mixtures, directed polymers and polymer blends, colloid--polymer mixtures, and liquid-forming mesogens. This modern and fascinating branch of condensed matter physics is presented from three complementary viewpoints. The first section, written by experimentalists, emphasises the observation of basic phenomena (by light scattering, for example). The second section, written by theoreticians, focuses on the necessary theoretical tools (density functional theory, path integrals, free energy expansions). The third section is devoted to the results of modern simulation techniques (Gibbs ensemble, free energy calculations, configurational bias Monte Carlo). The interplay between the disciplines is clearly illustrated. For all those interested in modern research in equilibrium statistical mechanics.
Book Synopsis Vapor-Liquid Equilibria Using Unifac by : Aage Fredenslund
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.
Book Synopsis Foundations of Molecular Modeling and Simulation by : Randall Q Snurr
Download or read book Foundations of Molecular Modeling and Simulation written by Randall Q Snurr and published by Springer. This book was released on 2016-06-01 with total page 176 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a collection of select proceedings of the FOMMS 2015 conference. FOMMS 2015 was the sixth triennial FOMMS conference showcasing applications of theory of computational quantum chemistry, molecular science, and engineering simulation. The theme of the 2015 meeting was on Molecular Modeling and the Materials Genome. This volume comprises chapters on many distinct applications of molecular modeling techniques. The content will be useful to researchers and students alike.
Book Synopsis Foundations of Molecular Modeling and Simulation by : Edward J. Maginn
Download or read book Foundations of Molecular Modeling and Simulation written by Edward J. Maginn and published by Springer Nature. This book was released on 2021-03-25 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.
Book Synopsis Novel Catalytic and Separation Processes Based on Ionic Liquids by : Dickson Ozokwelu
Download or read book Novel Catalytic and Separation Processes Based on Ionic Liquids written by Dickson Ozokwelu and published by Elsevier. This book was released on 2017-03-20 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: Novel Catalytic and Separation Process Based on Ionic Liquids presents the latest progress on the use of ionic liquids (ILs) in catalytic and separation processes. The book discusses the preparation of ILs, the characterization of IL catalysts by spectroscopic techniques, catalytic reactions over IL catalysts, separation science and technology of ILs, applications in biomass utilization, and synthesis of fine chemicals. Scientists, engineers, graduate students, managers, decision-makers, and others interested in ionic liquids will find this information very useful. The book can be used as a springboard for more advanced work in this area as it contains both theory and recent applications, research conducted, and developments in separation techniques and catalysis using ionic liquids. - Presents new preparation and advanced characterization of ionic liquids catalysts - Outlines catalytic reactions using ionic liquid, thus showing higher yields and selectivity - Presents novel separation science and technology based on ionic liquids and non-thermal processes
