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Molecular Modeling Of Polymer Structures And Properties
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Book Synopsis Molecular Modeling of Polymer Structures and Properties by : Bruce R. Gelin
Download or read book Molecular Modeling of Polymer Structures and Properties written by Bruce R. Gelin and published by Hanser Gardner Publications. This book was released on 1994-01-01 with total page 168 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to the techniques of molecular modeling and simulation with practical examples.
Book Synopsis Molecular Simulation Methods for Predicting Polymer Properties by : Vassilios Galiatsatos
Download or read book Molecular Simulation Methods for Predicting Polymer Properties written by Vassilios Galiatsatos and published by John Wiley & Sons. This book was released on 2005-02-03 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: Among the thousands of synthesized polymers, new polymeric substances and materials with new, often unusual, properties often arise. Consequently, this presents a problem in determining the physical properties of polymers, and thus makes it difficult to ascertain how to synthesize polymers with desired properties. This book discusses what molecular modelling can do to predict the properties of realistic polymer systems. Organized by property, each chapter will address the methods one may use to study the particular system. * Focuses on polymer properties rather than methods, making it more accessible to the average scientist/engineer * All important polymers will be covered, such as amorphous polymers, semicrystalline polymers, elastomers, emulsions, polymer interfaces and surfaces * Chapters contributed by experts in the field * Discusses current commercial software used in molecular simulation
Book Synopsis Polymer Materials by : Jean Louis Halary
Download or read book Polymer Materials written by Jean Louis Halary and published by John Wiley & Sons. This book was released on 2011-04-04 with total page 743 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced reviews for Polymer Materials "Molecular modeling of polymers ... is a subject that cannot be found in any other [book] in any appreciable detail. ... [T]he detailed chapters on specific polymer systems is a great idea." — Gregory Odegard, Michigan Technological University "The polymer community needs a text book which can connect the macroscopic mechanics with mesoscopic and molecular aspects of polymer." — Liangbin Li, University of Science and Technology of China This book takes a unique, multi-scale approach to the mechanical properties of polymers, covering both the macroscopic and molecular levels unlike any other book on the market. Based on the authors’ extensive research and writing in the field, Polymer Materials emphasizes the relationships between the chemical structure and the mechanical behavior of polymer materials, providing authoritative guidelines for assessing polymer performance under different conditions and the design of new materials. Key features of this book include: Experimental results on selected examples precede and reinforce the development of theoretical features In-depth discussions of a limited number of polymer systems instead of a brief overview of many Self-contained chapters with a summary of their key points Comprehensive problems and a solutions manual for the different parts of the book Coverage of the basics with an emphasis on polymer dynamics An indispensable resource for polymer scientists and students alike, Polymer Materials is also highly useful for material scientists, engineers, chemists, and physicists in industry and academia.
Book Synopsis Polymer Synthesis: Theory and Practice by : Dietrich Braun
Download or read book Polymer Synthesis: Theory and Practice written by Dietrich Braun and published by Springer Science & Business Media. This book was released on 2001 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Laboratory Manual contains detailed descriptions for the synthesis and characterization of macromolecules. 110 elaborated examples (descriptions of experiments) plus sufficient theoretical explanations enable the reader to learn about the syntheses, modification, characterization and properties of polymers including recent developments. All experiments can be conducted with adequate laboratory equipment. Suitable for students in organic and polymer chemistry as well as for chemists in industry who want to acquaint themselves with the theoretical and practical aspects of macromolecular chemistry.
Book Synopsis Molecular Modeling of Polymers by : Gregory C. Rutledge
Download or read book Molecular Modeling of Polymers written by Gregory C. Rutledge and published by John Wiley & Sons. This book was released on 1998 with total page 134 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Multiscale Modelling of Polymer Properties by : E. Perpète
Download or read book Multiscale Modelling of Polymer Properties written by E. Perpète and published by Elsevier. This book was released on 2006-11-18 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modelling in polymer materials science has experienced a dramatic growth in the last two decades. Advances in modeling methodologies together with rapid growth in computational power have made it possible to address increasingly complex questions both of a fundamental and of a more applied nature.Multiscale Modelling of Polymer Properties assembles research done on modeling of polymeric materials from a hierarchical point of view, in which several methods are combined in a multilevel approach to complex polymeric materials. Contributions from academic and industrial experts are organized in two parts: the first one addresses the methodological aspects while the second one focuses on specific applications. The book aims at comprehensively assessing the current state of the field, including the strengths and shortcomings of available modelling techniques, and at identifying future needs and trends. * Several levels of approximation to the field of polymer modelling; ranging from first-principles to purely macroscopic * Contributions from both academic and industrial experts with varying fields of expertise* Assesses current state of this emerging and rapidly growing field
Book Synopsis Group Interaction Modelling of Polymer Properties by : David Porter
Download or read book Group Interaction Modelling of Polymer Properties written by David Porter and published by CRC Press. This book was released on 1995-02-08 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: Describes a consistent set of relations between the structure of polymers and their commercially important thermal and mechanical properties for engineering applications--facilitating the development of a framework of polymer physics to explore new application areas without prior correlations. Includes methods for the easy calculation of input parameters and tabulates the most important parameters for 250 polymers.
Book Synopsis Simulation Methods for Polymers by : Michael Kotelyanskii
Download or read book Simulation Methods for Polymers written by Michael Kotelyanskii and published by CRC Press. This book was released on 2004-03-15 with total page 900 pages. Available in PDF, EPUB and Kindle. Book excerpt: Synthetic Lubricants and High-Performance Functional Fluids, Second Edition offers state-of-the-art information on all the major synthetic fluids, describing established products as well as highly promising experimental fluids with commercial potential. This second edition contains chapters on polyinternalolefins, polymer esters, refrigeration lube
Book Synopsis Molecular Modelling for Beginners by : Alan Hinchliffe
Download or read book Molecular Modelling for Beginners written by Alan Hinchliffe and published by John Wiley & Sons. This book was released on 2011-08-17 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry. Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutions Takes a hands-on approach, using state of the art software packages G03/W and/or Hyperchem, Gaussian .gjf files and sample outputs. Revised with changes in emphasis and presentation to appeal to the modern student.
Download or read book Molecular Design written by A.L. Horvath and published by Elsevier. This book was released on 2012-12-02 with total page 1505 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling techniques. The book will be of value to chemists in industries involved in the manufacture of organic chemicals such as solvents refrigerants, blood substitutes, etc. It also serves as a reference work for researchers, academics, consultants, and students interested in molecular design.
Book Synopsis Molecular Modeling and Multiscaling Issues for Electronic Material Applications by : Nancy Iwamoto
Download or read book Molecular Modeling and Multiscaling Issues for Electronic Material Applications written by Nancy Iwamoto and published by Springer Science & Business Media. This book was released on 2012-01-18 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Modeling and Multiscaling Issues for Electronic Material Applications provides a snapshot on the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand material performance to solve relevant issues in this field. This book is intended to introduce the reader to the evolving role of molecular modeling, especially seen through the eyes of the IEEE community involved in material modeling for electronic applications. Part I presents the role that quantum mechanics can play in performance prediction, such as properties dependent upon electronic structure, but also shows examples how molecular models may be used in performance diagnostics, especially when chemistry is part of the performance issue. Part II gives examples of large-scale atomistic methods in material failure and shows several examples of transitioning between grain boundary simulations (on the atomistic level)and large-scale models including an example of the use of quasi-continuum methods that are being used to address multiscaling issues. Part III is a more specific look at molecular dynamics in the determination of the thermal conductivity of carbon-nanotubes. Part IV covers the many aspects of molecular modeling needed to understand the relationship between the molecular structure and mechanical performance of materials. Finally, Part V discusses the transitional topic of multiscale modeling and recent developments to reach the submicronscale using mesoscale models, including examples of direct scaling and parameterization from the atomistic to the coarse-grained particle level.
Book Synopsis Structure and Rheology of Molten Polymers by : John M. Dealy
Download or read book Structure and Rheology of Molten Polymers written by John M. Dealy and published by Carl Hanser Verlag GmbH Co KG. This book was released on 2018-02-12 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in polymer science have made it possible to relate quantitatively molecular structure to rheological behavior. At the same time, new methods of synthesis and characterization allow the preparation and structural verification of samples having a range of branched polymeric structures. This book unites this knowledge to enable production of polymers with prescribed processability and end-product properties. Methods of polymer synthesis and characterization are described, starting from fundamentals. The foundations of linear viscoelasticity are introduced, and then the linear behavior of entangled polymers is described in detail. This is followed by a discussion of the molecular modeling of linear behavior. Tube models for both linear and branched polymers are presented. The final two chapters deal with nonlinear rheological behavior and tube models to describe nonlinearity. In this second edition, each chapter has been significantly rewritten to account for recent advances in experimental methods and theoretical modeling. It includes new and updated material on developments in polymer synthesis and characterization, computational algorithms for linear and nonlinear rheology prediction, measurement of nonlinear viscoelasticity, entanglement detection algorithms in molecular dynamics, nonlinear constitutive equations, and instabilities. Contents: - Structure of Polymers - Polymerization Reactions and Processes - Linear Viscoelasticity - Fundamentals - Linear Viscoelasticity - Behavior of Molten Polymers - Tube Models for Linear Polymers - Fundamentals - Tube Models for Linear Polymers - Advanced Topics - Determination of Molecular Weight Distribution Using Rheology - Tube Models for Branched Polymers - Nonlinear Viscoelasticity - Tube Models for Nonlinear Viscoelasticity of Linear and Branched Polymers
Book Synopsis Spectroscopic Techniques for Polymer Characterization by : Yukihiro Ozaki
Download or read book Spectroscopic Techniques for Polymer Characterization written by Yukihiro Ozaki and published by John Wiley & Sons. This book was released on 2022-03-14 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis The Physics of Deformation and Fracture of Polymers by : A. S. Argon
Download or read book The Physics of Deformation and Fracture of Polymers written by A. S. Argon and published by Cambridge University Press. This book was released on 2013-03-07 with total page 535 pages. Available in PDF, EPUB and Kindle. Book excerpt: A physical, mechanism-based presentation of the plasticity and fracture of polymers, covering industrial scale applications through to nanoscale biofluidic devices.
Book Synopsis Handbook of Benzoxazine Resins by : Hatsuo Ishida
Download or read book Handbook of Benzoxazine Resins written by Hatsuo Ishida and published by Elsevier. This book was released on 2011-07-13 with total page 712 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook provides a wide overview of the field, fundamental understanding of the synthetic methods and structure/property correlation, as well as studies related to applications in a wide range of subjects. The handbook also provides 1H and 13C NMR spectra, FTIR spectra, DSC and TGA thermograms to aid in research activities. Additional tables on key NMR and FTIR frequencies unique to benzoxazine, heat of polymerization, Tg, and char yield will greatly aid in the choice of proper benzoxazine for a specific application. Provides thorough coverage of the chemistry and applications of benzoxazine resins with an evidence-based approach to enable chemists, engineers and material scientists to evaluate effectiveness Features spectra, which allow researchers to compare results, avoid repetition and save time as well as tables on key NMR frequency, IR frequency, heat of polymerization, of many benzoxazine resins to aid them in selection of materials Written by the foremost experts in the field
Book Synopsis Polymerization Process Modeling by : N. A. Dotson
Download or read book Polymerization Process Modeling written by N. A. Dotson and published by John Wiley & Sons. This book was released on 1996-12-17 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Large numbers of chemical engineers work with polymerization reactions and the problems and the challenges particular to the production of polymers. These problems have no counterparts in small-molecule reactions, and thus usually are neglected in standard reactor courses. This book provides a clearly written, comprehensive textbook on polymerization reactor engineering, appropriate for senior-level undergraduate and 1st- and 2nd-year graduate students. It focuses on polymer structure and structure-property relationships conditions that can play a role in dictating stucture.
Book Synopsis Molecular Modeling and Theory in Chemical Engineering by : James Wei
Download or read book Molecular Modeling and Theory in Chemical Engineering written by James Wei and published by Elsevier. This book was released on 2001-12-18 with total page 493 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
