Multiscale Molecular Methods in Applied Chemistry

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Publisher : Springer Science & Business Media
ISBN 13 : 3642249671
Total Pages : 333 pages
Book Rating : 4.6/5 (422 download)

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Book Synopsis Multiscale Molecular Methods in Applied Chemistry by : Barbara Kirchner

Download or read book Multiscale Molecular Methods in Applied Chemistry written by Barbara Kirchner and published by Springer Science & Business Media. This book was released on 2012-01-25 with total page 333 pages. Available in PDF, EPUB and Kindle. Book excerpt: First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes, by A. Jaramillo-Botero, R. Nielsen, R. Abrol, J. Su, T. Pascal, J. Mueller and W. A. Goddard.- Dynamic QM/MM: A Hybrid Approach to Simulating Gas–Liquid Interactions, by S. Yockel and G. C. Schatz.- Multiscale Modelling in Computational Heterogeneous Catalysis, by F. J. Keil.- Real-World Predictions from Ab Initio Molecular Dynamics Simulations, by B. Kirchner, P. J. di Dio and J. Hutter.- Nanoscale Wetting Under Electric Field from Molecular Simulations, by C. D. Daub, D. Bratko and A. Luzar.- Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales, by J. L. Rafferty, J. I. Siepmann, M. R. Schure.- Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields, by G. Guevara-Carrion, H. Hasse and J. Vrabec.- Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes, by L. Delle Site, C. Holm and N. F. A. van der Vegt.- Coarse-Grained Modeling for Macromolecular Chemistry, by H. A. Karimi-Varzaneh and F. Müller-Plathe.-

Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs

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Publisher : Elsevier
ISBN 13 : 0128169559
Total Pages : 368 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs by : Sumit Sharma

Download or read book Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs written by Sumit Sharma and published by Elsevier. This book was released on 2019-08-09 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs presents the three major software packages used for the molecular dynamics simulation of nanocomposites. The book explains, in detail, how to use each of these packages, also providing real-world examples that show when each should be used. The latter two of these are open-source codes which can be used for modeling at no cost. Several case studies how each software package is used to predict various properties of nanocomposites, including metal-matrix, polymer-matrix and ceramic-matrix based nanocomposites. Properties explored include mechanical, thermal, optical and electrical properties. This is the first book that explores methodologies for using Materials Studio, Lammps and Gromacs in the same place. It will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. - Gives a detailed explanation of basic commands and modules of Materials Studio, Lammps and Gromacs - Shows how Materials Studio, Lammps and Gromacs predict mechanical, thermal, electrical and optical properties of nanocomposites - Uses case studies to show which software should be used to solve a variety of nanoscale modeling problems

Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics

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Publisher : World Scientific
ISBN 13 : 9814496057
Total Pages : 881 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics by : Bruce J Berne

Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.

International Aerospace Abstracts

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Publisher :
ISBN 13 :
Total Pages : 940 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis International Aerospace Abstracts by :

Download or read book International Aerospace Abstracts written by and published by . This book was released on 1997 with total page 940 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Phase Behavior of Petroleum Reservoir Fluids

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Publisher : CRC Press
ISBN 13 : 1420018256
Total Pages : 423 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Phase Behavior of Petroleum Reservoir Fluids by : Karen Schou Pedersen

Download or read book Phase Behavior of Petroleum Reservoir Fluids written by Karen Schou Pedersen and published by CRC Press. This book was released on 2006-11-01 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the phase behavior of the various fluids present in a petroleum reservoir is essential for achieving optimal design and cost-effective operations in a petroleum processing plant. Taking advantage of the authors' experience in petroleum processing under challenging conditions, Phase Behavior of Petroleum Reservoir Fluids introdu

Colloidal Silica

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Publisher : CRC Press
ISBN 13 : 1420028707
Total Pages : 926 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Colloidal Silica by : Horacio E. Bergna

Download or read book Colloidal Silica written by Horacio E. Bergna and published by CRC Press. This book was released on 2005-12-19 with total page 926 pages. Available in PDF, EPUB and Kindle. Book excerpt: In spite of the apparent simplicity of silica's composition and structure, scientists are still investigating fundamental questions regarding the formation, constitution, and behavior of colloidal silica systems. Colloidal Silica: Fundamentals and Applications introduces new information on colloid science related to silica chemistry as well

Silicon Nanocrystals

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Publisher : John Wiley & Sons
ISBN 13 : 9783527629961
Total Pages : 648 pages
Book Rating : 4.6/5 (299 download)

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Book Synopsis Silicon Nanocrystals by : Lorenzo Pavesi

Download or read book Silicon Nanocrystals written by Lorenzo Pavesi and published by John Wiley & Sons. This book was released on 2010-02-02 with total page 648 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique collection of knowledge represents a comprehensive treatment of the fundamental and practical consequences of size reduction in silicon crystals. This clearly structured reference introduces readers to the optical, electrical and thermal properties of silicon nanocrystals that arise from their greatly reduced dimensions. It covers their synthesis and characterization from both chemical and physical viewpoints, including ion implantation, colloidal synthesis and vapor deposition methods. A major part of the text is devoted to applications in microelectronics as well as photonics and nanobiotechnology, making this of great interest to the high-tech industry.

Nanoparticle Technology Handbook

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Publisher : Elsevier
ISBN 13 : 008055802X
Total Pages : 645 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Nanoparticle Technology Handbook by : Masuo Hosokawa

Download or read book Nanoparticle Technology Handbook written by Masuo Hosokawa and published by Elsevier. This book was released on 2007-10-19 with total page 645 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoparticle technology, which handles the preparation, processing, application and characterisation of nanoparticles, is a new and revolutionary technology. It becomes the core of nanotechnology as an extension of the conventional Fine Particle / Powder Technology. Nanoparticle technology plays an important role in the implementation of nanotechnology in many engineering and industrial fields including electronic devices, advanced ceramics, new batteries, engineered catalysts, functional paint and ink, Drug Delivery System, biotechnology, etc.; and makes use of the unique properties of the nanoparticles which are completely different from those of the bulk materials.This new handbook is the first to explain complete aspects of nanoparticles with many application examples showing their advantages and advanced development. There are handbooks which briefly mention the nanosized particles or their related applications, but no handbook describing the complete aspects of nanoparticles has been published so far.The handbook elucidates of the basic properties of nanoparticles and various nanostructural materials with their characterisation methods in the first part. It also introduces more than 40 examples of practical and potential uses of nanoparticles in the later part dealing with applications. It is intended to give readers a clear picture of nanoparticles as well as new ideas or hints on their applications to create new materials or to improve the performance of the advanced functional materials developed with the nanoparticles.* Introduces all aspects of nanoparticle technology, from the fundamentals to applications.* Includes basic information on the preparation through to the characterization of nanoparticles from various viewpoints * Includes information on nanostructures, which play an important role in practical applications.

Atomic Layer Deposition for Semiconductors

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Publisher : Springer Science & Business Media
ISBN 13 : 146148054X
Total Pages : 266 pages
Book Rating : 4.4/5 (614 download)

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Book Synopsis Atomic Layer Deposition for Semiconductors by : Cheol Seong Hwang

Download or read book Atomic Layer Deposition for Semiconductors written by Cheol Seong Hwang and published by Springer Science & Business Media. This book was released on 2013-10-18 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: Offering thorough coverage of atomic layer deposition (ALD), this book moves from basic chemistry of ALD and modeling of processes to examine ALD in memory, logic devices and machines. Reviews history, operating principles and ALD processes for each device.

Laser Ablation in Liquids

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Publisher : CRC Press
ISBN 13 : 9814241520
Total Pages : 1166 pages
Book Rating : 4.8/5 (142 download)

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Book Synopsis Laser Ablation in Liquids by : Guowei Yang

Download or read book Laser Ablation in Liquids written by Guowei Yang and published by CRC Press. This book was released on 2012-02-22 with total page 1166 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the fundamental concepts and physical and chemical aspects of pulsed laser ablation of solid targets in liquid environments and its applications in the preparation of nanomaterials and fabrication of nanostructures. The areas of focus include basic thermodynamic and kinetic processes of laser ablation in liquids, and its applic

Bottom-up Nanofabrication: Supramolecules-I

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Publisher : American Scientific Publishers
ISBN 13 :
Total Pages : 516 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Bottom-up Nanofabrication: Supramolecules-I by : Katsuhiko Ariga

Download or read book Bottom-up Nanofabrication: Supramolecules-I written by Katsuhiko Ariga and published by American Scientific Publishers. This book was released on 2009 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Membrane Technology and Applications

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Publisher : John Wiley & Sons
ISBN 13 : 9780470854457
Total Pages : 556 pages
Book Rating : 4.8/5 (544 download)

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Book Synopsis Membrane Technology and Applications by : Richard W. Baker

Download or read book Membrane Technology and Applications written by Richard W. Baker and published by John Wiley & Sons. This book was released on 2004-05-31 with total page 556 pages. Available in PDF, EPUB and Kindle. Book excerpt: Table of Contents Preface Acknowledgments for the first edition Acknowledgments for the second edition 1 Overview of Membrane Science and Technology 1 2 Membrane Transport Theory 15 3 Membranes and Modules 89 4 Concentration Polarization 161 5 Reverse Osmosis 191 6 Ultrafiltration 237 7 Microfiltration 275 8 Gas Separation 301 9 Pervaporation 355 10 Ion Exchange Membrane Processes - Electrodialysis 393 11 Carrier Facilitated Transport 425 12 Medical Applications of Membranes 465 13 Other Membrane Processes 491 Appendix 523 Index 535.

Adsorption and Diffusion

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Publisher : Springer Science & Business Media
ISBN 13 : 3540739661
Total Pages : 411 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Adsorption and Diffusion by : Hellmut G. Karge

Download or read book Adsorption and Diffusion written by Hellmut G. Karge and published by Springer Science & Business Media. This book was released on 2008-06-17 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. The contributions are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 7 treats fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion. Various methods of measuring adsorption and diffusion are described and discussed.

Defects in SiO2 and Related Dielectrics: Science and Technology

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Publisher : Springer Science & Business Media
ISBN 13 : 9780792366850
Total Pages : 636 pages
Book Rating : 4.3/5 (668 download)

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Book Synopsis Defects in SiO2 and Related Dielectrics: Science and Technology by : Gianfranco Pacchioni

Download or read book Defects in SiO2 and Related Dielectrics: Science and Technology written by Gianfranco Pacchioni and published by Springer Science & Business Media. This book was released on 2000-12-31 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Study Institute, Erice, Italy, April 8-20, 2000

Characterization and Chemical Modification of the Silica Surface

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Publisher : Elsevier
ISBN 13 : 0080528953
Total Pages : 573 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Characterization and Chemical Modification of the Silica Surface by : E.F. Vansant

Download or read book Characterization and Chemical Modification of the Silica Surface written by E.F. Vansant and published by Elsevier. This book was released on 1995-04-25 with total page 573 pages. Available in PDF, EPUB and Kindle. Book excerpt: Oxide surface materials are widely used in many applications, in particular where chemically modified oxide surfaces are involved. Indeed, in disciplines such as separation, catalysis, bioengineering, electronics, ceramics, etc., modified oxide surfaces are very important. In all cases, the knowledge of their chemical and surface characteristics is of great importance for the understanding and eventual improvement of their performances. This book reviews the latest techniques and procedures in the characterization and chemical modification of the silica surface, presenting a unified and state-of-the-art approach to the relevant analysis techniques and modification procedures, covering 1000 references integrated into one clear concept.

Biochar for Environmental Management

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Publisher : Earthscan
ISBN 13 : 1849770557
Total Pages : 449 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Biochar for Environmental Management by : Dr. Johannes Lehmann

Download or read book Biochar for Environmental Management written by Dr. Johannes Lehmann and published by Earthscan. This book was released on 2009 with total page 449 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Biochar is the carbon-rich product when biomass (such as wood, manure, or crop residues) is heated in a closed container with little or no available air. It can be used to improve agriculture and the environment in several ways, and its stability in soil and superior nutrient-retention properties make it an ideal soil amendment to increase crop yields. In addition to this, biochar sequestration, in combination with sustainable biomass production, can be carbon-negative and therefore used to actively remove carbon dioxide from the atmosphere, with major implications for mitigation of climate change. Biochar production can also be combined with bioenergy production through the use of the gases that are given off in the pyrolysis process.This book is the first to synthesize the expanding research literature on this topic. The book's interdisciplinary approach, which covers engineering, environmental sciences, agricultural sciences, economics and policy, is a vital tool at this stage of biochar technology development. This comprehensive overview of current knowledge will be of interest to advanced students, researchers and professionals in a wide range of disciplines"--Provided by publisher.

Nanostructure Science and Technology

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Publisher : Springer Science & Business Media
ISBN 13 : 9780792358541
Total Pages : 378 pages
Book Rating : 4.3/5 (585 download)

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Book Synopsis Nanostructure Science and Technology by : Richard W. Siegel

Download or read book Nanostructure Science and Technology written by Richard W. Siegel and published by Springer Science & Business Media. This book was released on 1999-09-30 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: Timely information on scientific and engineering developments occurring in laboratories around the world provides critical input to maintaining the economic and technological strength of the United States. Moreover, sharing this information quickly with other countries can greatly enhance the productivity of scientists and engineers. These are some of the reasons why the National Science Foundation (NSF) has been involved in funding science and technology assessments comparing the United States and foreign countries since the early 1980s. A substantial number of these studies have been conducted by the World Technology Evaluation Center (WTEC) managed by Loyola College through a cooperative agreement with NSF. The National Science and Technology Council (NSTC), Committee on Technology's Interagency Working Group on NanoScience, Engineering and Technology (CT/IWGN) worked with WTEC to develop the scope of this Nanostucture Science and Technology report in an effort to develop a baseline of understanding for how to strategically make Federal nanoscale R&D investments in the coming years. The purpose of the NSTC/WTEC activity is to assess R&D efforts in other countries in specific areas of technology, to compare these efforts and their results to U. S. research in the same areas, and to identify opportunities for international collaboration in precompetitive research. Many U. S. organizations support substantial data gathering and analysis efforts focusing on nations such as Japan. But often the results of these studies are not widely available. At the same time, government and privately sponsored studies that are in the public domain tend to be "input" studies.