Molecular Modeling and Simulation of Real Fluids for Applications in Process Engineering PDF Download

Author: Yow-lin Huang
Publisher:
ISBN:
Category :
Languages : en
Pages : 158

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Author: Bernhard Eckl
Publisher:
ISBN: 9783183912032
Category :
Languages : en
Pages : 138

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Book Description

Author: Edward J. Maginn
Publisher: Springer Nature
ISBN: 9813366397
Category : Science
Languages : en
Pages : 228

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Book Description
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: 0080488269
Category : Technology & Engineering
Languages : en
Pages : 508

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Book Description
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: 9811035458
Category : Science
Languages : en
Pages : 324

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Book Description
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: 0323850448
Category : Technology & Engineering
Languages : en
Pages : 428

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Book Description
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: 9783527316052
Category : Technology & Engineering
Languages : en
Pages : 0

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Book Description
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: 0309168392
Category : Science
Languages : en
Pages : 238

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Book Description
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:
Category : Science
Languages : en
Pages : 128

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Book Description

Author: Luis Puigjaner
Publisher: John Wiley & Sons
ISBN: 9783527308040
Category : Science
Languages : en
Pages : 480

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Book Description
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.