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Author : Yow-lin Huang
Publisher :
ISBN 13 :
Total Pages : 158 pages
Book Rating : 4.:/5 (864 download)
Download or read book Molecular Modeling and Simulation of Real Fluids for Applications in Process Engineering written by Yow-lin Huang and published by . This book was released on 2010 with total page 158 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Bernhard Eckl
Publisher :
ISBN 13 : 9783183912032
Total Pages : 138 pages
Book Rating : 4.9/5 (12 download)
Download or read book Development of Molecular Models of Real Fluids for Applications in Process Engineering written by Bernhard Eckl and published by . This book was released on 2010 with total page 138 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Edward J. Maginn
Publisher : Springer Nature
ISBN 13 : 9813366397
Total Pages : 228 pages
Book Rating : 4.8/5 (133 download)
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.
Author : James Wei
Publisher : Elsevier
ISBN 13 : 0080488269
Total Pages : 508 pages
Book Rating : 4.0/5 (84 download)
Download or read book Molecular Modeling and Theory in Chemical Engineering written by James Wei and published by Elsevier. This book was released on 2001-12-18 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years chemical engineers have become increasingly involved in the design and synthesis of new materials and products as well as the development of biological processes and biomaterials. Such applications often demand that product properties be controlled with precision. Molecular modeling, simulating chemical and molecular structures or processes by computer, aids scientists in this endeavor. Volume 28 of Advances in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies.
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 : Michael Bortz
Publisher : Elsevier
ISBN 13 : 0323850448
Total Pages : 428 pages
Book Rating : 4.3/5 (238 download)
Download or read book Simulation and Optimization in Process Engineering written by Michael Bortz and published by Elsevier. This book was released on 2022-04-16 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: Simulation and Optimization in Process Engineering: The Benefit of Mathematical Methods in Applications of the Process Industry brings together examples where the successful transfer of progress made in mathematical simulation and optimization has led to innovations in an industrial context that created substantial benefit. Containing introductory accounts on scientific progress in the most relevant topics of process engineering (substance properties, simulation, optimization, optimal control and real time optimization), the examples included illustrate how such scientific progress has been transferred to innovations that delivered a measurable impact, covering details of the methods used, and more. With each chapter bringing together expertise from academia and industry, this book is the first of its kind, providing demonstratable insights. Recent mathematical methods are transformed into industrially relevant innovations. Covers recent progress in mathematical simulation and optimization in a process engineering context with chapters written by experts from both academia and industry Provides insight into challenges in industry aiming for a digitized world.
Author : Wiley-VCH
Publisher : Wiley-VCH
ISBN 13 : 9783527316052
Total Pages : 0 pages
Book Rating : 4.3/5 (16 download)
Download or read book Ullmann's Modeling and Simulation written by Wiley-VCH and published by Wiley-VCH. This book was released on 2007-03-12 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: A convenient source of information, tailor-made for engineers, scientists and computational chemists. Based on the latest online edition of Ullmann's, and containing articles never seen before in print (e.g. a cutting-edge article on "Modeling and Simulation of Microreactors"), this ready reference meets the need for a comprehensive survey of the mathematical fundamentals, complementary computational approaches as well as the application of modeling and simulation in chemistry and engineering. Since the entire 40-volume Ullmann's Encyclopedia is inaccessible to many readers -- particularly individuals, smaller companies or institutes -- this convenient handbook condenses all the necessary information. The detailed and meticulously edited articles have been written by renowned experts from industry and academia, with much of the information thoroughly revised. Deeper insights into any given area of interest is offered by referenced contributions, while rapid access to a particular subject is enhanced by both a keyword and author index.
Author : National Research Council
Publisher : National Academies Press
ISBN 13 : 0309168392
Total Pages : 238 pages
Book Rating : 4.3/5 (91 download)
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Author : James C. Rainwater
Publisher :
ISBN 13 :
Total Pages : 128 pages
Book Rating : 4.0/5 ( download)
Download or read book Report on Forum 2000 written by James C. Rainwater and published by . This book was released on 2001 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Luis Puigjaner
Publisher : John Wiley & Sons
ISBN 13 : 9783527308040
Total Pages : 480 pages
Book Rating : 4.3/5 (8 download)
Download or read book Computer Aided Process and Product Engineering (CAPE) written by Luis Puigjaner and published by John Wiley & Sons. This book was released on 2007-01-02 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer aided process engineering (CAPE) tools have been very successfully used in process design and product engineering for a long time. In particular, simulation and modelling tools have enabled engineers to analyse and understand the behaviour of selected processes prior to building actual plants. The aim of design or retrofit of chemical processes is to produce profitably products that satisfy the societal needs, ensuring safe and reliable operation of each process, as well as minimising any effects on the environment. This involves the conceptual design or retrofit of plants and processes, novel manufacturing approaches, process/control system design interactions and operability, manufacturability, environmental and safety issues. Backed by current studies, this 2-volume set gives a comprehensive survey of the various approaches and latest developments on the use of CAPE in the process industry. An invaluable reference to the scientific and industrial community in the field of computer aided process and product engineering.
Author : Frerich J. Keil
Publisher : John Wiley & Sons
ISBN 13 : 3527311432
Total Pages : 424 pages
Book Rating : 4.5/5 (273 download)
Download or read book Modeling of Process Intensification written by Frerich J. Keil and published by John Wiley & Sons. This book was released on 2007-04-09 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: Combining the knowledge involved in process engineering and process modeling, this is the first book to cover all modeling methods applicable to process intensification. Both the editors and authors are renowned experts from industry and academia in the various fields of process modeling and integrated chemical processes. Following an introduction to the topic, the book goes on to look at equipment and operational methods, monolithic catalysis, HEX, micro- and reverse flow reactors, catalytic and reactive distillation, the simulated-moving bed and vibration bubble column as well as ultrasound and ultrasonic reactors. A final chapter is devoted to processes under supercritical conditions. In its treatment of hot topics of multidisciplinary interest, this book is of great value to researchers and engineers alike.
Author : Phillip R. Westmoreland
Publisher : Springer Science & Business Media
ISBN 13 : 9401707650
Total Pages : 596 pages
Book Rating : 4.4/5 (17 download)
Download or read book Applying Molecular and Materials Modeling written by Phillip R. Westmoreland and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
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 : Klaus Lucas
Publisher : Cambridge University Press
ISBN 13 : 1139462202
Total Pages : 407 pages
Book Rating : 4.1/5 (394 download)
Download or read book Molecular Models for Fluids written by Klaus Lucas and published by Cambridge University Press. This book was released on 2007-01-22 with total page 407 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the development of modern molecular models for fluids from the interdisciplinary fundamentals of classical and statistical mechanics, of electrodynamics and of quantum mechanics. The concepts and working equations of the various fields are briefly derived and illustrated in the context of understanding the properties of molecular systems. Special emphasis is devoted to the quantum mechanical basis, since this is used throughout in the calculation of the molecular energy of a system. The book is application oriented. It stresses those elements that are essential for practical model development. The fundamentals are then used to derive models for various types of applications. Finally, equation of state models are presented based on quantum chemically based models for the intermolecular potential energy and perturbation theory. The book is suited for graduate courses in chemical and mechanical engineering, physics and chemistry, but may also, by proper selection, be found useful on the undergraduate level.
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 : Daan Frenkel
Publisher : Elsevier
ISBN 13 : 0323913180
Total Pages : 868 pages
Book Rating : 4.3/5 (239 download)
Download or read book Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2023-07-13 with total page 868 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations. Understanding Molecular Simulation is equally relevant for those who develop new code and those who use existing packages. Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular Simulation provides readers with the foundational knowledge they need to learn about, select and apply the most appropriate of these tools to their own work. The implementation of simulation methods is illustrated in pseudocodes, and their practical use is shown via case studies presented throughout the text. Since the second edition’s publication, the simulation world has expanded significantly: existing techniques have continued to develop, and new ones have emerged, opening up novel application areas. This new edition aims to describe these new developments without becoming exhaustive; examples are included that highlight current uses, and several new examples have been added to illustrate recent applications. Examples, case studies, questions, and downloadable algorithms are also included to support learning. No prior knowledge of computer simulation is assumed. Fully updated guide to both the current state and latest developments in the field of molecular simulation, including added and expanded information on such topics as molecular dynamics and statistical assessment of simulation results Gives a rounded overview by showing fundamental background information in practice via new examples in a range of key fields Provides online access to new data, algorithms and tutorial slides to support and encourage practice and learning
Author : R. J. Kee
Publisher :
ISBN 13 : 9781119186304
Total Pages : 747 pages
Book Rating : 4.1/5 (863 download)
Download or read book Chemically Reacting Flow written by R. J. Kee and published by . This book was released on 2017 with total page 747 pages. Available in PDF, EPUB and Kindle. Book excerpt:
