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Author : Dimitrios Michael Tsangaris
Publisher :
ISBN 13 :
Total Pages : 672 pages
Book Rating : 4.:/5 (89 download)
Download or read book Molecular Based Study of Fluid Phase Equilibria written by Dimitrios Michael Tsangaris and published by . This book was released on 1993 with total page 672 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 :
Publisher :
ISBN 13 :
Total Pages : 13 pages
Book Rating : 4.:/5 (727 download)
Download or read book MOLECULAR SIMULATION OF PHASE EQUILIBRIA FOR COMPLEX FLUIDS. written by and published by . This book was released on 2009 with total page 13 pages. Available in PDF, EPUB and Kindle. Book excerpt: The general area of this project was the development and application of novel molecular simulation methods for prediction of thermodynamic and structural properties of complex polymeric, surfactant and ionic fluids. Over this project period, we have made considerable progress in developing novel algorithms to meet the computational challenges presented by the strong or long-range interactions in these systems and have generated data for well-defined mod-els that can be used to test theories and compare to experimental data. Overall, 42 archival papers and many invited and contributed presentations and lectures have been based on work supported by this project. 6 PhD, 1 M.S. and 2 postdoctoral students have been associated with this work, as listed in the body of the report.
Author : Gabriele Raabe
Publisher : Springer
ISBN 13 : 9811035458
Total Pages : 324 pages
Book Rating : 4.8/5 (11 download)
Download or read book Molecular Simulation Studies on Thermophysical Properties written by Gabriele Raabe and published by Springer. This book was released on 2017-02-17 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions to Monte Carlo and molecular dynamics simulation techniques. It also offers an overview of force-field models for molecular simulations and their parameterization, with a discussion of specific aspects. The book then summarizes the available know-how for analyzing molecular simulation outputs to derive information on thermophysical and structural properties. Both the force-field modeling and the analysis of simulation outputs are illustrated by various examples. Simulation studies on recently introduced HFO compounds as working fluids for different technical applications demonstrate the value of molecular simulations in providing predictions for poorly understood compounds and gaining a molecular-level understanding of their properties. This book will prove a valuable resource to researchers and students alike.
Author : John M. Prausnitz
Publisher : Pearson Education
ISBN 13 : 0132440504
Total Pages : 1150 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 1150 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 : J. M. Haile
Publisher :
ISBN 13 :
Total Pages : 544 pages
Book Rating : 4.3/5 (91 download)
Download or read book Molecular-based Study of Fluids written by J. M. Haile and published by . This book was released on 1983 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: Good,No Highlights,No Markup,all pages are intact, Slight Shelfwear,may have the corners slightly dented, may have slight color changes/slightly damaged spine.
Author : Eleanor Patricia A. Paras
Publisher :
ISBN 13 :
Total Pages : 264 pages
Book Rating : 4.:/5 (276 download)
Download or read book Theoretical Studies of the Effect of Molecular Shape Upon Solid-fluid Phase Equilibria written by Eleanor Patricia A. Paras and published by . This book was released on 1992 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Ulrich K Deiters
Publisher : Elsevier
ISBN 13 : 0444563547
Total Pages : 363 pages
Book Rating : 4.4/5 (445 download)
Download or read book High-Pressure Fluid Phase Equilibria written by Ulrich K Deiters and published by Elsevier. This book was released on 2012-04-26 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book begins with an overview of the phase diagrams of fluid mixtures (fluid = liquid, gas, or supercritical state), which can show an astonishing variety when elevated pressures are taken into account; phenomena like retrograde condensation (single and double) and azeotropy (normal and double) are discussed. It then gives an introduction into the relevant thermodynamic equations for fluid mixtures, including some that are rarely found in modern textbooks, and shows how they can they be used to compute phase diagrams and related properties. This chapter gives a consistent and axiomatic approach to fluid thermodynamics; it avoids using activity coefficients. Further chapters are dedicated to solid-fluid phase equilibria and global phase diagrams (systematic search for phase diagram classes). The appendix contains numerical algorithms needed for the computations. The book thus enables the reader to create or improve computer programs for the calculation of fluid phase diagrams. - introduces phase diagram classes, how to recognize them and identify their characteristic features - presents rational nomenclature of binary fluid phase diagrams - includes problems and solutions for self-testing, exercises or seminars
Author :
Publisher :
ISBN 13 :
Total Pages : 11 pages
Book Rating : 4.:/5 (684 download)
Download or read book Molecular Simulation of Phase Equilibria for Complex Fluids. Final Report written by and published by . This book was released on 1999 with total page 11 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Esteban Alberto Brignole
Publisher : Newnes
ISBN 13 : 044459471X
Total Pages : 347 pages
Book Rating : 4.4/5 (445 download)
Download or read book Phase Equilibrium Engineering written by Esteban Alberto Brignole and published by Newnes. This book was released on 2013-04-02 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: Traditionally, the teaching of phase equilibria emphasizes the relationships between the thermodynamic variables of each phase in equilibrium rather than its engineering applications. This book changes the focus from the use of thermodynamics relationships to compute phase equilibria to the design and control of the phase conditions that a process needs. Phase Equilibrium Engineering presents a systematic study and application of phase equilibrium tools to the development of chemical processes. The thermodynamic modeling of mixtures for process development, synthesis, simulation, design and optimization is analyzed. The relation between the mixture molecular properties, the selection of the thermodynamic model and the process technology that could be applied are discussed. A classification of mixtures, separation process, thermodynamic models and technologies is presented to guide the engineer in the world of separation processes. The phase condition required for a given reacting system is studied at subcritical and supercritical conditions. The four cardinal points of phase equilibrium engineering are: the chemical plant or process, the laboratory, the modeling of phase equilibria and the simulator. The harmonization of all these components to obtain a better design or operation is the ultimate goal of phase equilibrium engineering. - Methodologies are discussed using relevant industrial examples - The molecular nature and composition of the process mixture is given a key role in process decisions - Phase equilibrium diagrams are used as a drawing board for process implementation
Author : C. G. Gray
Publisher : International Monographs on Ch
ISBN 13 : 0198556217
Total Pages : 785 pages
Book Rating : 4.1/5 (985 download)
Download or read book Theory of Molecular Fluids written by C. G. Gray and published by International Monographs on Ch. This book was released on 1984 with total page 785 pages. Available in PDF, EPUB and Kindle. Book excerpt: Existing texts on liquid theory are limited to simple liquids of spherical molecules, but nearly all liquids of practical interest have molecules that are non-spherical, resulting in more diverse phenomena. This text is the first to provide the molecular theory for such liquids, and describes applications to a wide range of physical properties.
Author : Mansoori G Ali
Publisher : World Scientific Publishing Company
ISBN 13 : 9813102047
Total Pages : 360 pages
Book Rating : 4.8/5 (131 download)
Download or read book Principles Of Nanotechnology: Molecular Based Study Of Condensed Matter In Small Systems written by Mansoori G Ali and published by World Scientific Publishing Company. This book was released on 2005-03-03 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: This invaluable book provides a pointed introduction to the fascinating subject of bottom-up nanotechnology with emphasis on the molecular-based study of condensed matter in small systems. Nanotechnology has its roots in the landmark lecture delivered by the famous Nobel Laureate physicist, Richard Feynman, on 29 December 1959 entitled “There's Plenty of Room at the Bottom.” By the mid-1980s, it had gained real momentum with the invention of scanning probe microscopes. Today, nanotechnology promises to have a revolutionary impact on the way things are designed and manufactured in the future.Principles of Nanotechnology is self-contained and unified in presentation. It may be used as a textbook by graduate students and even ambitious undergraduates in engineering, and the biological and physical sciences who already have some familiarity with quantum and statistical mechanics. It is also suitable for experts in related fields who require an overview of the fundamental topics in nanotechnology. The explanations in the book are detailed enough to capture the interest of the curious reader, and complete enough to provide the necessary background material needed to go further into the subject and explore the research literature. Due to the interdisciplinary nature of nanotechnology, a comprehensive glossary is included detailing abbreviations, chemical formulae, concepts, definitions, equations and theories.
Author : Christopher G. Gray
Publisher : Oxford University Press
ISBN 13 : 0191004871
Total Pages : 785 pages
Book Rating : 4.1/5 (91 download)
Download or read book Theory of Molecular Fluids written by Christopher G. Gray and published by Oxford University Press. This book was released on 2011-10-13 with total page 785 pages. Available in PDF, EPUB and Kindle. Book excerpt: Existing texts on the statistical mechanics of liquids treat only spherical molecules. However, nearly all fluids of practical interest are composed of non-spherical molecules that are often dipolar or exhibit other kinds of electrostatic forces. This book describes the statistical mechanical theory of fluids of non-spherical molecules and its application to the calculation of physical properties, and is a sequel to Theory of Molecular Fluids. Volume 1: Fundamentals by C.G. Gray and K.E. Gubbins. The emphasis is on the new phenomena that arise due to the non-spherical nature of the intermolecular forces, such as new phase transitions, structural features and dielectric effects. It contains chapters on the thermodynamic properties of pure and mixed fluids, surface properties, X-ray and neutron diffraction structure factors, dielectric properties and spectroscopic properties. The book is aimed at beginning graduate students and research workers in chemistry, physics, materials science and engineering.
Author : Anand Bharti
Publisher : CRC Press
ISBN 13 : 1315350068
Total Pages : 174 pages
Book Rating : 4.3/5 (153 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 174 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 : Camila Gambini Pereira
Publisher : Academic Press
ISBN 13 : 0128115572
Total Pages : 684 pages
Book Rating : 4.1/5 (281 download)
Download or read book Thermodynamics of Phase Equilibria in Food Engineering written by Camila Gambini Pereira and published by Academic Press. This book was released on 2018-10-17 with total page 684 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermodynamics of Phase Equilibria in Food Engineering is the definitive book on thermodynamics of equilibrium applied to food engineering. Food is a complex matrix consisting of different groups of compounds divided into macronutrients (lipids, carbohydrates, and proteins), and micronutrients (vitamins, minerals, and phytochemicals). The quality characteristics of food products associated with the sensorial, physical and microbiological attributes are directly related to the thermodynamic properties of specific compounds and complexes that are formed during processing or by the action of diverse interventions, such as the environment, biochemical reactions, and others. In addition, in obtaining bioactive substances using separation processes, the knowledge of phase equilibria of food systems is essential to provide an efficient separation, with a low cost in the process and high selectivity in the recovery of the desired component. This book combines theory and application of phase equilibria data of systems containing food compounds to help food engineers and researchers to solve complex problems found in food processing. It provides support to researchers from academia and industry to better understand the behavior of food materials in the face of processing effects, and to develop ways to improve the quality of the food products. Presents the fundamentals of phase equilibria in the food industry Describes both classic and advanced models, including cubic equations of state and activity coefficient Encompasses distillation, solid-liquid extraction, liquid-liquid extraction, adsorption, crystallization and supercritical fluid extraction Explores equilibrium in advanced systems, including colloidal, electrolyte and protein systems
Download or read book Alcuni cenni storici sopra la città di Cesena e sopra la famosa giostra d'incontro written by and published by . This book was released on 1843 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : J.V. Sengers
Publisher : Elsevier
ISBN 13 : 0080531180
Total Pages : 455 pages
Book Rating : 4.0/5 (85 download)
Download or read book Equations of State for Fluids and Fluid Mixtures written by J.V. Sengers and published by Elsevier. This book was released on 2000-10-30 with total page 455 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book has been prepared under the auspices of Commission I.2 on Thermodynamics of the International Union of Pure and Applied Chemistry (IUPAC). The authors of the 18 chapters are all recognized experts in the field. The book gives an up-to-date presentation of equations of state for fluids and fluid mixtures. All principal approaches for developing equations of state are covered. The theoretical basis and practical use of each type of equation is discussed and the strength and weaknesses of each is addressed. Topics addressed include the virial equation of state, cubic equations and generalized van der Waals equations, perturbation theory, integral equations, corresponding stated and mixing rules. Special attention is also devoted to associating fluids, polydisperse fluids, polymer systems, self-assembled systems, ionic fluids and fluids near critical points.
