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Computer Simulation of Polymeric Materials

Applications of the OCTA System

  • Book
  • © 2016

Overview

Editors:
  1. Japan Association for Chemical Innovation

    1. Tokyo, Japan

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  • Is the first published sourcebook on the OCTA system
  • Introduces many practical examples from researchers in both academia and industry
  • Includes detailed processes and tips on simulation that readers can apply to their own research projects

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Table of contents (30 chapters)

  1. Front Matter

    Pages i-ix
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  2. Introduction of Computer Simulation of Polymeric Materials

    1. Front Matter

      Pages 1-1
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    2. Expected Target of Polymer Simulation

      • Takeshi Aoyagi
      Pages 3-4

    3. Coarse-Grained Simulation

      • Takeshi Aoyagi
      Pages 5-12

  3. OCTA: Mesoscale Polymer Simulation System

    1. Front Matter

      Pages 13-13
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    2. Overview of OCTA

      • Jun-ichi Takimoto, Takeshi Aoyagi
      Pages 15-27

    3. COGNAC: Coarse-Grained Molecular Dynamics Simulator

      • Takeshi Aoyagi
      Pages 29-65

    4. SUSHI: Density Functional Theory Simulator

      • Takashi Honda
      Pages 67-100

    5. PASTA and NAPLES: Rheology Simulator

      • Yuichi Masubuchi
      Pages 101-127

    6. MUFFIN: Multiphase Simulator

      • Taku Ozawa
      Pages 129-147

    7. KAPSEL: Colloidal Dispersion Simulator

      • Ryoichi Yamamoto, John Jairo Molina
      Pages 149-167

  4. Examples of the Application of OCTA

    1. Front Matter

      Pages 169-169
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    2. Melt Viscoelasticity

      • Naoki Kobayashi
      Pages 171-177

    3. Crystallization of Polymers

      • Takashi Yamamoto
      Pages 179-188

    4. Polymer Blends: Bulk Property

      • Naoki Kobayashi
      Pages 189-199

    5. Polymer Blends: Interfacial Strength

      • Taku Ozawa
      Pages 201-210

    6. Composites: Morphology

      • Kenta Chaki, Taku Ozawa
      Pages 211-219

    7. Composites: Interfacial Strength

      • Taku Ozawa, Hiroya Nitta
      Pages 221-228

    8. Cross-Linked Rubber

      • Hiroshi Shima
      Pages 229-248

    9. Thermoplastic Elastomers

      • Takeshi Aoyagi
      Pages 249-267
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Keywords

About this book

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.

Editors and Affiliations

  • Tokyo, Japan

    Japan Association for Chemical Innovation

About the editor

The Japan Association for Chemical Innovation (JACI), a public interest incorporated association, is composed of members from the chemical industry, user industries, academia, and leading national research institutions in Japan. This public interest corporation carries out activities with the aim of promoting various projects with highly public nature concerning chemical technology innovation.

Bibliographic Information

  • Book Title: Computer Simulation of Polymeric Materials

  • Book Subtitle: Applications of the OCTA System

  • Editors: Japan Association for Chemical Innovation

  • DOI: https://doi.org/10.1007/978-981-10-0815-3

  • Publisher: Springer Singapore

  • eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)

  • Copyright Information: Springer Science+Business Media Singapore 2016

  • Hardcover ISBN: 978-981-10-0814-6Published: 09 August 2016

  • Softcover ISBN: 978-981-10-9259-6Published: 12 June 2018

  • eBook ISBN: 978-981-10-0815-3Published: 30 July 2016

  • Edition Number: 1

  • Number of Pages: IX, 400

  • Number of Illustrations: 64 b/w illustrations, 194 illustrations in colour

  • Topics: Computer Applications in Chemistry, Polymer Sciences, Surfaces and Interfaces, Thin Films

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