Modelling and Simulation in the Science of Micro  and Meso Porous Materials Book

Modelling and Simulation in the Science of Micro and Meso Porous Materials


  • Author : C.Richard A. Catlow
  • Publisher : Elsevier
  • Release Date : 2017-09-20
  • Genre: Technology & Engineering
  • Pages : 370
  • ISBN 10 : 9780128050583

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Modelling and Simulation in the Science of Micro and Meso Porous Materials Excerpt :

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

Modelling and Simulation in the Science of Micro  and Meso Porous Materials Book

Modelling and Simulation in the Science of Micro and Meso Porous Materials


  • Author : C. R. A. CATLOW
  • Publisher : Elsevier
  • Release Date : 2017-09-22
  • Genre: Uncategoriezed
  • Pages : 370
  • ISBN 10 : 0128050578

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Modelling and Simulation in the Science of Micro and Meso Porous Materials Excerpt :

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

Computational Chemistry Methods Book

Computational Chemistry Methods


  • Author : Ponnadurai Ramasami
  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release Date : 2020-08-10
  • Genre: Science
  • Pages : 194
  • ISBN 10 : 9783110631623

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Computational Chemistry Methods Excerpt :

This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.

Catalysis in Chemistry and Biology Book

Catalysis in Chemistry and Biology


  • Author : Wuthrich Kurt
  • Publisher : World Scientific
  • Release Date : 2018-06-19
  • Genre: Science
  • Pages : 416
  • ISBN 10 : 9789813237186

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Catalysis in Chemistry and Biology Excerpt :

The Proceedings of the 24th International Solvay Conference on Chemistry comprise contributed short personal statements and transcripts of in-depth discussions on 'Catalysis in Chemistry and Biology' from a by-invitation-only select group of 48 eminent scientists, including four Nobel Laureates, from all parts of the world. The theme of the conference was presented in six sessions, along which the Proceedings are organized. The first session on 'Homogeneous Catalysis,' chaired by Professor Robert Grubbs, is devoted to basic research on catalysis in homogeneous solutions and applications thereof. 'Heterogeneous Catalysis and Characterization of Catalyst Surfaces,' chaired by Professor Gerhard Ertl, includes extensive references to industrial applications of catalysis on solid supports, and discussions on the experimental techniques used in this field. 'Catalysis by Microporous Materials,' chaired by Professor Mark E. Davis, is devoted to a detailed characterization of this particular class of solid support catalysts, with special emphasis on model analysis of the processes catalyzed by these materials. 'Catalysis under Extreme Conditions: Studies at High Pressure and High Temperatures -- Relations with Processes in Nature,' chaired by Professor Henk N W Lekkerkerker, broadens the scope of the two preceding sessions with exciting illustrations. The sessions on 'Catalysis by Protein Enzymes,' chaired by Prof. JoAnne Stubbe, and 'Catalysis by Ribozymes in Molecular Machines,' chaired by Prof. David Lilley, present at the same time an exciting extension of and a contrast to the initial four sessions. The combination of the six sessions provides an impressive overview, giving innovative insights into relationships between catalysis in chemical processes and in biological systems, and a unique outlook to anticipated developments in the coming years and the more distant future.

Computer Simulation of Porous Materials Book

Computer Simulation of Porous Materials


  • Author : Kim E. Jelfs
  • Publisher : Royal Society of Chemistry
  • Release Date : 2021-09-08
  • Genre: Computers
  • Pages : 325
  • ISBN 10 : 9781788019002

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Computer Simulation of Porous Materials Excerpt :

"Computer Simulation of Porous Materials covers the key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to either rationalise or predict a range of properties including sorption, diffusion, mechanical, spectroscopic and catalytic. The book covers the full breadth of (micro)porous materials, from inorganic (zeolites), to organic including porous polymers and porous molecular materials, and hybrid materials (metal-organic frameworks). Through chapters focusing on techniques for specific types of applications and properties, the book outlines the challenges and opportunities in applying approaches and methods to different classes of systems, including a discussion of high-throughput screening. There is a strong forward-looking focus, to identify where increased computer power or artificial intelligence techniques such as machine learning have the potential to open up new avenues of research. Edited by a world leader in the field, this title provides a valuable resource for not only computational researchers, but also gives an overview for experimental researchers. It is presented at a level accessible to advanced undergraduates, postgraduates and researchers wishing to learn more about the topic."--Provided by publisher.

Characterization of Porous Solids VI Book
Score: 5
From 1 Ratings

Characterization of Porous Solids VI


  • Author : Anonim
  • Publisher : Elsevier
  • Release Date : 2002-11-14
  • Genre: Science
  • Pages : 808
  • ISBN 10 : 0080528910

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Characterization of Porous Solids VI Excerpt :

This book contains 99 of the papers that were presented at the 6th in the series of Symposia on Characterization of Porous Solids held in Alicante, Spain, May 2002. Written by leading international specialists in the subject, the contributions represent an up-to-date and authoritative account of recent developments around the world in the major methods used to characterize porous solids. The book is a useful work of reference for anyone interested in characterizing porous solids, such as MCM-41 mesoporous materials, pillared clays, etc. Papers on pore structure determination using gas adsorption feature strongly, together with papers on small angle scattering methods, mercury porosimetry, microcalorimetry, scanning probe microscopies, and image analysis.

Adsorption Science and Technology Book

Adsorption Science and Technology


  • Author : Duong D Do
  • Publisher : World Scientific
  • Release Date : 2000-04-06
  • Genre: Technology & Engineering
  • Pages : 756
  • ISBN 10 : 9789814493376

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Adsorption Science and Technology Excerpt :

This book presents the latest research on adsorption science and technology. It covers various aspects of materials, solid characterization, equilibria, kinetics determination and new processes. Contents:Cluster Mediated Filling of Water and Alcohol on Microporous Carbon Alloys (K Kaneko et al.)Direct Measurement of Transient Concentration Profiles in Molecular Sieve Particles and Columns by MRI (N Karsten-Bär et al.)Computer Simulation Studies of Wetting on Heterogeneous Surfaces (S Curtarolo et al.)New Adsorbents for Gas Separation by Weak Chemical Bonds (R T Yang)Measurement of Adsorbate Density Profiles in Activated Carbon with the Aid of 1H-MRI (F B Aarden et al.)Interaction Between Adsorption and Condensation Processes in a Pore-Relation Between Condensation Pressure and Pore Width (C Aharoni)Isosteric Heat: A Criterion for Equilibrium Model Selection (A Ahmadpour & D D Do)Adsorption Characteristics and Isotherm Relationships of Activated Carbons Developed from Lignite and Peat (S J Allen et al.)and other papers Readership: Engineers and scientists working in adsorption and separation science and engineering, as well as research students in chemical engineering and physical chemistry. Keywords:

Adsorption Science and Technology Book
Score: 4
From 2 Ratings

Adsorption Science and Technology


  • Author : D. Do Duong
  • Publisher : World Scientific
  • Release Date : 2000
  • Genre: Science
  • Pages : 764
  • ISBN 10 : 9810242638

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Adsorption Science and Technology Excerpt :

This book is the proceedings of the second Pacific Basin Conference on Adsorption Science and Technology that was held May 14-18, 2000 in Brisbane, Australia.

Computer Modelling of Microporous Materials Book

Computer Modelling of Microporous Materials


  • Author : C.Richard A. Catlow
  • Publisher : Elsevier
  • Release Date : 2004-04-30
  • Genre: Science
  • Pages : 298
  • ISBN 10 : 008047229X

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Computer Modelling of Microporous Materials Excerpt :

Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and ion exchange. The breadth of the field has, moreover, been extended in the last ten years by the discovery of the versatile and exciting ranges of mesoporous materials. Computational methods have a long and successful history of application in solid state and materials science, where they are indeed established tools in modelling structural and dynamic properties of the bulk and surfaces of solids; and where they are playing an increasingly important role in understanding reactivity. Their application to zeolite science developed strongly in the 1980's, with the initial successes in modelling structure and sorption, and with emerging capability in quantum mechanical methods. The field was reviewed over ten years, since then there have been major developments in techniques and of course the power of the available hardware, which have promoted a whole range of new applications to real complex problems in the science of microporous materials. Computer Modelling of Microporous Materials aims to summarise and illustrate the current capabilities of atomistic computer modelling methods in this growing field. Details advances in the rapidly expanding field of microporous materials Summarises key current techniques in this type of modelling Illustrates the current capabilities of atomistic computer modelling methods

Physical Chemistry Research for Engineering and Applied Sciences   Three Volume Set Book

Physical Chemistry Research for Engineering and Applied Sciences Three Volume Set


  • Author : Eli M. Pearce
  • Publisher : CRC Press
  • Release Date : 2015-06-24
  • Genre: Science
  • Pages : 970
  • ISBN 10 : 9781482262339

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Physical Chemistry Research for Engineering and Applied Sciences Three Volume Set Excerpt :

This 3-volume set covers new research and applications on physical chemical for engineering and applied sciences. Volume 1 discusses the principles and technological implications of industrial chemistry and biochemical physics. Volume 2 presents some fascinating phenomena associated with the remarkable features of high performance polymers and also

Material Science and Engineering Book

Material Science and Engineering


  • Author : Ping Chen
  • Publisher : CRC Press
  • Release Date : 2016-03-18
  • Genre: Technology & Engineering
  • Pages : 712
  • ISBN 10 : 9781315638881

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Material Science and Engineering Excerpt :

Material Science and Engineering presents novel and fundamental advances in the field of material science and engineering. This proceedings collects the comprehensive and worldwide research results on Metallic Materials and Applications, Chemical Materials, Electronic Materials, Nanomaterials, Composite and Polymer Materials, Bio and Medical Materi

Carbon Nanotubes Book

Carbon Nanotubes


  • Author : A. K. Haghi
  • Publisher : CRC Press
  • Release Date : 2015-02-03
  • Genre: Technology & Engineering
  • Pages : 364
  • ISBN 10 : 9781482259872

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Carbon Nanotubes Excerpt :

This book presents the diversity of recent advances in carbon nanotubes from a broad perspective that will be useful for scientists as well as for graduate students and engineers. Presenting leading-edge research in this dynamic field, this volume is an introduction to the physical concepts needed for investigating carbon nanotubes and other one-dimensional solid-state systems. Written for a wide scientific readership, each chapter consists of an instructive approach to the topic and sustainable ideas for solutions. Carbon nanotubes, with their extraordinary mechanical and unique electronic properties, have garnered much attention in recent years. With a broad range of potential applications, including nanoelectronics, composites, chemical sensors, biosensors, microscopy, nanoelectromechanical systems, and many more, the scientific community is more motivated than ever to move beyond basic properties and explore the real issues associated with carbon nanotube-based applications. Carbon nanotubes are exceptionally interesting from a fundamental research point of view. They open up new perspectives for various applications, such as nano-transistors in circuits, field-emission displays, artificial muscles, or added reinforcements in alloys. This book reviews the recent progress in modeling of carbon nanotubes and their composites. The advantages and disadvantages of different methods are discussed. The ability of continuum methods to bridge different scales is emphasized. Recommendations for future research are given by focusing on what each method has to learn from the nano-scale. The scope of the book is to provide current knowledge aiming to support researchers entering the scientific area of carbon nanotubes to choose the appropriate modeling tool for accomplishing their study and place their efforts to further improve continuum methods.

Characterization of Porous Solids and Powders  Surface Area  Pore Size and Density Book
Score: 5
From 1 Ratings

Characterization of Porous Solids and Powders Surface Area Pore Size and Density


  • Author : Seymour Lowell
  • Publisher : Springer Science & Business Media
  • Release Date : 2006-04-24
  • Genre: Science
  • Pages : 370
  • ISBN 10 : 1402023022

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Characterization of Porous Solids and Powders Surface Area Pore Size and Density Excerpt :

The growth of interest in newly developed porous materials has prompted the writing of this book for those who have the need to make meaningful measurements without the benefit of years of experience. One might consider this new book as the 4th edition of "Powder Surface Area and Porosity" (Lowell & Shields), but for this new edition we set out to incorporate recent developments in the understanding of fluids in many types of porous materials, not just powders. Based on this, we felt that it would be prudent to change the title to "Characterization of Porous Solids and Powders: Surface Area, Porosity and Density". This book gives a unique overview of principles associated with the characterization of solids with regard to their surface area, pore size, pore volume and density. It covers methods based on gas adsorption (both physi and chemisorption), mercury porosimetry and pycnometry. Not only are the theoretical and experimental basics of these techniques presented in detail but also, in light of the tremendous progress made in recent years in materials science and nanotechnology, the most recent developments are described. In particular, the application of classical theories and methods for pore size analysis are contrasted with the most advanced microscopic theories based on statistical mechanics (e.g. Density Functional Theory and Molecular Simulation). The characterization of heterogeneous catalysts is more prominent than in earlier editions; the sections on mercury porosimetry and particularly chemisorption have been updated and greatly expanded.

Simulated Annealing Book

Simulated Annealing


  • Author : Cher Ming Tan
  • Publisher : BoD – Books on Demand
  • Release Date : 2008-09-01
  • Genre: Computers
  • Pages : 430
  • ISBN 10 : 9789537619077

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Simulated Annealing Excerpt :

This book provides the readers with the knowledge of Simulated Annealing and its vast applications in the various branches of engineering. We encourage readers to explore the application of Simulated Annealing in their work for the task of optimization.

Simulation Science Book

Simulation Science


  • Author : Nina Gunkelmann
  • Publisher : Springer Nature
  • Release Date : 2020-04-06
  • Genre: Computers
  • Pages : 197
  • ISBN 10 : 9783030457181

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Simulation Science Excerpt :

This book constitutes the refereed proceedings of the Second International Workshop on Simulation Science, held in Clausthal-Zellerfeld, in May 2019. The 12 full papers were carefully reviewed and selected from 47 submissions. The papers are organized according to the following topics: optimization and distributed simulations; simulation of materials; self-organized and porous structures; simulation of materials: finite element and multiscale methods.