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Author: Kaoru Ohno
Publisher: Springer Science & Business Media
ISBN: 9783540639619
Category : Science
Languages : en
Pages : 342
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Book Description
Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics.
Author: Paolo Pasini
Publisher: Springer Science & Business Media
ISBN: 1402027605
Category : Science
Languages : en
Pages : 368
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Book Description
Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years with various classes of models at different special resolutions, ranging from atomistic to molecular and coarse-grained lattice models. Each of the two fields has developed its own set of tools and specialized procedures and the book aims to provide a state of the art review of the computer simulation studies of polymers and liquid crystals. This is of great importance in view of a potential cross-fertilization between these connected areas which is particularly apparent for a number of experimental systems like, e.g. polymer liquid crystals and anisotropic gels where the different fields necessarily merge. An effort has been made to assess the possibilities of a coherent description of the themes that have developed independently, and to compare and extend the theoretical and computational techniques put forward in the different areas.
Author: Yukihiro Ozaki
Publisher: John Wiley & Sons
ISBN: 3527348336
Category : Science
Languages : en
Pages : 500
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Book Description
An insightful exploration of cutting-edge spectroscopic techniques in polymer characterization In Spectroscopic Techniques for Polymer Characterization: Methods, Instrumentation, Applications, a team of distinguished chemists delivers a comprehensive exploration of the vast potential of spectroscopic characterization techniques in polymer research. The book offers a concise outline of the principles, advantages, instrumentation, experimental techniques, and noteworthy applications of cutting-edge spectroscopy. Covering a wide range of polymers, from nylon to complex polymeric nanocomposites, the author presents recent developments in polymer science to polymer, analytical, and material chemists, assisting them in keeping track of the progress in modern spectroscopy. Spectroscopic Techniques for Polymer Characterization contains contributions from pioneers in modern spectroscopic techniques from around the world. The included materials bridge the gap between spectroscopists, polymer scientists, and engineers in academia and industry. The book also offers: A thorough introduction to the progress in spectroscopic techniques, including polymer spectroscopy and near-infrared spectroscopy Comprehensive explorations of topical polymers studied by spectroscopy, including polymer thin films, fluoropolymers, polymer solutions, conductive polymers Practical discussions of infrared imaging, near-infrared imaging, two-dimensional correlation spectroscopy, and far-ultraviolet spectroscopy In-depth examinations of spectroscopic studies of weak hydrogen bonding in polymers Spectroscopic Techniques for Polymer Characterization: Methods, Instrumentation, Applications is a must-read reference for polymer, analytical, and physical chemists, as well as materials scientists and spectroscopists seeking a one-stop resource for polymer characterization using spectroscopic analyses.
Author: Kaoru Ohno
Publisher: Springer Science & Business Media
ISBN: 9783540639619
Category : Science
Languages : en
Pages : 342
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Book Description
Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics.
Author: Malgorzata Borowko
Publisher: CRC Press
ISBN: 1420030035
Category : Science
Languages : en
Pages : 958
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Book Description
This volume presents computer simulation methods and mathematical modelling of physical processes used in surface science research. It offers in-depth analysis of advanced theoretical approaches to behaviours of fluids in contact with porous, semiporous and nonporous solid surfaces. The book also explores interfacial systems for a wide variety of p
Author: Masoud Soroush
Publisher: Elsevier
ISBN: 0128159847
Category : Science
Languages : en
Pages : 386
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Book Description
Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemistry (CQC) methods applicable to polymerization reactions, and presents those results systematically. CQC has advanced polymer reaction engineering considerably for the past two decades. The book puts these advances into perspective. It also allows you to access the most up-to-date research and CQC methods applicable to polymerization reactions in a single volume. The content is rigorous yet accessible to graduate students as well as researchers who need a reference of state-of-the-art CQC methods with polymerization applications. - Consolidates more than 10 years of theoretical polymerization reaction research currently scattered across journal articles - Accessibly presents CQC methods applicable to polymerization reactions - Provides researchers with a one-stop source of the latest theoretical developments in polymer reaction engineering
Author: Michael Kotelyanskii
Publisher: CRC Press
ISBN: 0824751310
Category : Technology & Engineering
Languages : en
Pages : 572
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Book Description
Author: Japan Association for Chemical Innovation
Publisher: Springer
ISBN: 9811008159
Category : Science
Languages : en
Pages : 391
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Book Description
This book is the first to introduce a mesoscale polymer simulation system called OCTA. With its name derived from "Open Computational Tool for Advanced material technology," OCTA is a unique software product, available without charge, that was developed in a project funded by Japanese government. OCTA contains a series of simulation programs focused on mesoscale simulation of the soft matter COGNAC, SUSHI, PASTA, NAPLES, MUFFIN, and KAPSEL. When mesoscale polymer simulation is performed, one may encounter many difficulties that this book will help to overcome. The book not only introduces the theoretical background and functions of each simulation engine, it also provides many examples of the practical applications of the OCTA system. Those examples include predicting mechanical properties of plastic and rubber, morphology formation of polymer blends and composites, the micelle structure of surfactants, and optical properties of polymer films. This volume is strongly recommended as a valuable resource for both academic and industrial researchers who work in polymer simulation.
Author: Pierre Degond
Publisher: Springer Science & Business Media
ISBN: 9780817632540
Category : Mathematics
Languages : en
Pages : 372
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Book Description
In recent years kinetic theory has developed in many areas of the physical sciences and engineering, and has extended the borders of its traditional fields of application. New applications in traffic flow engineering, granular media modeling, and polymer and phase transition physics have resulted in new numerical algorithms which depart from traditional stochastic Monte--Carlo methods. This monograph is a self-contained presentation of such recently developed aspects of kinetic theory, as well as a comprehensive account of the fundamentals of the theory. Emphasizing modeling techniques and numerical methods, the book provides a unified treatment of kinetic equations not found in more focused theoretical or applied works. The book is divided into two parts. Part I is devoted to the most fundamental kinetic model: the Boltzmann equation of rarefied gas dynamics. Additionally, widely used numerical methods for the discretization of the Boltzmann equation are reviewed: the Monte--Carlo method, spectral methods, and finite-difference methods. Part II considers specific applications: plasma kinetic modeling using the Landau--Fokker--Planck equations, traffic flow modeling, granular media modeling, quantum kinetic modeling, and coagulation-fragmentation problems. Modeling and Computational Methods of Kinetic Equations will be accessible to readers working in different communities where kinetic theory is important: graduate students, researchers and practitioners in mathematical physics, applied mathematics, and various branches of engineering. The work may be used for self-study, as a reference text, or in graduate-level courses in kinetic theory and its applications.
Author: Mariam Al Ali AlMaadeed
Publisher: Elsevier
ISBN: 0128173033
Category : Technology & Engineering
Languages : en
Pages : 674
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Book Description
Polymer Science and Innovative Applications: Materials, Techniques, and Future Developments introduces the science of innovative polymers and composites, their analysis via experimental techniques and simulation, and their utilization in a variety of application areas. This approach helps to unlock the potential of new materials for product design and other uses. The book also examines the role that these applications play in the human world, from pollution and health impacts, to their potential to make a positive contribution in areas including environmental remediation, medicine and healthcare, and renewable energy. Advantages, disadvantages, possibilities, and challenges relating to the utilization of polymers in human society are included. - Presents the latest advanced applications of polymers and their composites and identifies key areas for future development - Introduces the simulation methods and experimental techniques involved in the modification of polymer properties, supported by clear and detailed images and diagrams - Supports an interdisciplinary approach, enabling readers across different fields to harness the power of new materials for innovative applications
Author: National Research Council
Publisher: National Academies Press
ISBN: 0309049989
Category : Technology & Engineering
Languages : en
Pages : 193
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Book Description
Polymers are used in everything from nylon stockings to commercial aircraft to artificial heart valves, and they have a key role in addressing international competitiveness and other national issues. Polymer Science and Engineering explores the universe of polymers, describing their properties and wide-ranging potential, and presents the state of the science, with a hard look at downward trends in research support. Leading experts offer findings, recommendations, and research directions. Lively vignettes provide snapshots of polymers in everyday applications. The volume includes an overview of the use of polymers in such fields as medicine and biotechnology, information and communication, housing and construction, energy and transportation, national defense, and environmental protection. The committee looks at the various classes of polymersâ€"plastics, fibers, composites, and other materials, as well as polymers used as membranes and coatingsâ€"and how their composition and specific methods of processing result in unparalleled usefulness. The reader can also learn the science behind the technology, including efforts to model polymer synthesis after nature's methods, and breakthroughs in characterizing polymer properties needed for twenty-first-century applications. This informative volume will be important to chemists, engineers, materials scientists, researchers, industrialists, and policymakers interested in the role of polymers, as well as to science and engineering educators and students.
