Molecular Modeling Of Polymer Structures And Properties
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Molecular Modeling Of Polymer Structures And Properties
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Author : Bruce R. Gelin
language : en
Publisher: Hanser Gardner Publications
Release Date : 1994-01-01
Molecular Modeling Of Polymer Structures And Properties written by Bruce R. Gelin and has been published by Hanser Gardner Publications this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-01-01 with Computers categories.
This book provides an introduction to the techniques of molecular modeling and simulation with practical examples.
Molecular Simulation Methods For Predicting Polymer Properties
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Author : Vassilios Galiatsatos
language : en
Publisher: John Wiley & Sons
Release Date : 2005-02-03
Molecular Simulation Methods For Predicting Polymer Properties written by Vassilios Galiatsatos and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-02-03 with Science categories.
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
Polymer Materials
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Author : Jean Louis Halary
language : en
Publisher: John Wiley & Sons
Release Date : 2011-04-04
Polymer Materials written by Jean Louis Halary and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-04-04 with Technology & Engineering categories.
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.
Molecular Modeling Of Polymers
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Author : Gregory C. Rutledge
language : en
Publisher: John Wiley & Sons
Release Date : 1998
Molecular Modeling Of Polymers written by Gregory C. Rutledge and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Science categories.
Structure And Properties Of Glassy Polymers
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Author : Martin R. Tant
language : en
Publisher:
Release Date : 1998
Structure And Properties Of Glassy Polymers written by Martin R. Tant and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Amorphous substances categories.
In twenty-nine chapters by leading authorities, Structure and Properties of Glassy Polymers provides readers with comprehensive coverage of basic and applied research on glass polymers as well as a wealth of information on current topics such as molecular modeling, characterization, polymer glasses in confined spaces, and conducting glass polymers. The characterization techniques presented include temperature-modulated differential scanning calorimetry, dielectric loss spectroscopy, photochemical hole burning, positron annihilation lifetime spectroscopy, and transient current generation.
Multiscale Modelling Of Polymer Properties
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Author : E. Perpète
language : en
Publisher: Elsevier
Release Date : 2006-11-18
Multiscale Modelling Of Polymer Properties written by E. Perpète and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-11-18 with Technology & Engineering categories.
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
Molecular Modeling And Multiscaling Issues For Electronic Material Applications
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Author : Nancy Iwamoto
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-01-18
Molecular Modeling And Multiscaling Issues For Electronic Material Applications written by Nancy Iwamoto and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-01-18 with Science categories.
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.
Group Interaction Modelling Of Polymer Properties
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Author : David Porter
language : en
Publisher: CRC Press
Release Date : 1995-02-08
Group Interaction Modelling Of Polymer Properties written by David Porter and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-02-08 with Technology & Engineering categories.
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.
Structure And Rheology Of Molten Polymers
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Author : John M. Dealy
language : en
Publisher: Carl Hanser Verlag GmbH Co KG
Release Date : 2018-02-12
Structure And Rheology Of Molten Polymers written by John M. Dealy and has been published by Carl Hanser Verlag GmbH Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-02-12 with Technology & Engineering categories.
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
Molecular Design
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Author : A.L. Horvath
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Molecular Design written by A.L. Horvath and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
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.