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Author: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 0128050586
Category : Technology & Engineering
Languages : en
Pages : 372
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Book Description
Modelling and Simulation in the Science of Micro- and Meso-Porous Materials addresses significant developments in the field of micro- and meso-porous science. The book includes sections on Structure Modeling and Prediction, Synthesis, Nucleation and Growth, Sorption and Separation processes, Reactivity and Catalysis, and Fundamental Developments in Methodology to give a complete overview of the techniques currently utilized in this rapidly advancing field. It thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture. - Authored and edited by experts in the field of micro- and meso-porous materials - Includes introductory material and background both on the science of microporous materials and on the techniques employed in contemporary modeling studies - Rigorous enough for scientists conducting related research, but also accessible to graduate students in chemistry, chemical engineering, and materials science
Author: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 0128050586
Category : Technology & Engineering
Languages : en
Pages : 372
Get Book Here
Book Description
Modelling and Simulation in the Science of Micro- and Meso-Porous Materials addresses significant developments in the field of micro- and meso-porous science. The book includes sections on Structure Modeling and Prediction, Synthesis, Nucleation and Growth, Sorption and Separation processes, Reactivity and Catalysis, and Fundamental Developments in Methodology to give a complete overview of the techniques currently utilized in this rapidly advancing field. It thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture. - Authored and edited by experts in the field of micro- and meso-porous materials - Includes introductory material and background both on the science of microporous materials and on the techniques employed in contemporary modeling studies - Rigorous enough for scientists conducting related research, but also accessible to graduate students in chemistry, chemical engineering, and materials science
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: M Suzuki
Publisher: Elsevier
ISBN: 0080887724
Category : Technology & Engineering
Languages : en
Pages : 819
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Book Description
Fundamentals of Adsorption contains 2 plenary lectures and 96 selected papers from the IVth International Conference, Kyoto, May, 1992. The topics cover a wide range of studies from fundamentals to applications: characterization of porous adsorbents, molecular simulation, adsorption isotherms, diffusion in adsorbents, breakthrough detection, chromatography, pressure swing operation, etc. Model studies on adsorption, surface characterization, microporosimetry, molecular simulations of equilibrium and diffusion, computer simulation of adsorption beds, and many theoretical studies are also included. Special attention is given to: bulk gas separation and purification, solvent recovery, bioproduct separation, environmental pollution control, methane storage, adsorption cooling and resources recovery.
Author: Sidney Yip
Publisher: Springer Science & Business Media
ISBN: 1402032862
Category : Science
Languages : en
Pages : 2903
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Book Description
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
Author: Lawrence J. Dunne
Publisher: Springer Science & Business Media
ISBN: 9048124816
Category : Technology & Engineering
Languages : en
Pages : 301
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Book Description
Channels of nanotubular dimensions exist in a variety of materials (examples are carbon nanotubes and the nanotubular channels of zeolites and zeotypes) and show promise for numerous applications due to their unique properties. One of their most important properties is their capacity to adsorb molecules and these may exist in a variety of phases. "Adsorption and Phase Behaviour in Nanochannels and Nanotubes" provides an excellent review of recent and current work on adsorption on nanometerials. It is an impressive collection of papers dealing with the adsorption and phase behaviour in nanoporous materials from both experimental and theoretical perspectives. "Adsorption and Phase Behaviour in Nanochannels and Nanotubes" focuses on carbon nanotubes as well as zeolites and related materials.
Author: J. D. Seader
Publisher: John Wiley & Sons
ISBN: 1119638631
Category : Science
Languages : en
Pages : 562
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Book Description
Covers the key topics in computer organization and embedded systems. This title presents hardware design principles and shows how hardware design is influenced by the requirements of software. It explains the main principles supported by examples drawn from commercially available processors.
Author: Metin Türkay
Publisher: Elsevier
ISBN: 0323885136
Category : Technology & Engineering
Languages : en
Pages : 2146
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Book Description
The 31st European Symposium on Computer Aided Process Engineering: ESCAPE-31, Volume 50 contains the papers presented at the 31st European Symposium of Computer Aided Process Engineering (ESCAPE) event held in Istanbul, Turkey. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students and consultants in the chemical industries. - Presents findings and discussions from the 31st European Symposium of Computer Aided Process Engineering (ESCAPE) event
Author: Koichi Hayashi
Publisher: Springer Nature
ISBN: 9819952352
Category : Technology & Engineering
Languages : en
Pages : 458
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Book Description
This book introduces characterizations of hyperordered structures using latest quantum beam technologies, the advanced theoretical methods for understanding the roles of the structures, and the state-of-the-arts materials containing the structures. In this book, the authors focus on the importance of defect complexes to improve functionality of crystals and that of orders of network structures to improve functionality of glass materials. These features can be regarded as interphases between perfect crystals and perfect amorphous, and they are the key factor for the evolution of materials science to a new dimension. The authors call such interphases "hyperordered structures" in this book. This is the first book that comprehensively summarizes glass science, defect science, and quantum beam science. It is valuable not only for active researchers in industry and academia but also graduate students.
Author: M. Douglas LeVan
Publisher: Springer Science & Business Media
ISBN: 1461313759
Category : Technology & Engineering
Languages : en
Pages : 1080
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Book Description
Fundamentals of Adsorption is the proceedings of the fifth International Conference on the Fundamentals of Adsorption, which was held on May 13-18, 1995 at the Asilomar Conference Center, Pacific Grove, California. This conference was organized completely under the auspices of the International Adsorption Society. It was attended by 196 participants from 24 countries. Members of the Scientific Advisory Board, together with the Conference Committee, selected papers for presentation from a large number of proposals involving an especially high level of international participation. The fundamental aspects of adsorption is a subject which has grown rapidly in recent years, drawing researchers from many disciplines including materials science, chemistry, physics, biochemistry and biotechnology, and chemical, civil, mechanical and environmental engineering. Fundamentals of Adsorption serves as an excellent reference and may be used as a primary text for a graduate level course on adsorption research or as a secondary text for a course on any of the disciplines mentioned above.
Author: Prashant Mhaskar
Publisher: Springer
ISBN: 3030041409
Category : Technology & Engineering
Languages : en
Pages : 346
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Book Description
Modeling and Control of Batch Processes presents state-of-the-art techniques ranging from mechanistic to data-driven models. These methods are specifically tailored to handle issues pertinent to batch processes, such as nonlinear dynamics and lack of online quality measurements. In particular, the book proposes: a novel batch control design with well characterized feasibility properties; a modeling approach that unites multi-model and partial least squares techniques; a generalization of the subspace identification approach for batch processes; and applications to several detailed case studies, ranging from a complex simulation test bed to industrial data. The book’s proposed methodology employs statistical tools, such as partial least squares and subspace identification, and couples them with notions from state-space-based models to provide solutions to the quality control problem for batch processes. Practical implementation issues are discussed to help readers understand the application of the methods in greater depth. The book includes numerous comments and remarks providing insight and fundamental understanding into the modeling and control of batch processes. Modeling and Control of Batch Processes includes many detailed examples of industrial relevance that can be tailored by process control engineers or researchers to a specific application. The book is also of interest to graduate students studying control systems, as it contains new research topics and references to significant recent work. Advances in Industrial Control reports and encourages the transfer of technology in control engineering. The rapid development of control technology has an impact on all areas of the control discipline. The series offers an opportunity for researchers to present an extended exposition of new work in all aspects of industrial control.
