Computer Simulation of Polymeric Materials

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Beschreibung

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.

Über den Autor

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.

Zusammenfassung

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

Inhaltsverzeichnis

Expected Target of Polymer Simulation.- Coarse-Grained Simulation.- Overview of OCTA.- COGNAC: Coarse-grained Molecular Dynamics Simulator.- SUSHI: Density Functional Theory Simulator.- PASTA & NAPLES: Rheology Simulator.- MUFFIN: Multi Phase Simulator.- KAPSEL: Colloidal Dispersion Simulator.- Melt Viscoelasticity.- Crystallization of Polymers.- Polymer Blends: Bulk Property.- Polymer Blends: Interfacial Strength.- Composites: Morphology.- Composites: Interfacial Strength.- Cross-linked Rubber.- Thermoplastic Elastomers.- Filler-filled Rubbers.- Structures of the Surface and Interface.- Glass Transition at the Surface and Interface.- Evaporation from Polymer Solution.- Crystallization in Thin Films of n-alkanes.- Improvement of Adhesive Properties utilizing Segregation of Oligomers and Investigation of Its Mechanism by SUSHI Simulation.- Adsorption of Polyelectrolytes.- Adsorbed Structures and Surface Forces.- Analysis of Relaxation Mechanism of Thread-like Micelle Solution.- Vesicle Formation.- Electrolyte Membranes.- Orientation Birefringence.- Lithography.

Details

Erscheinungsjahr:	2016
Fachbereich:	Populäre Darstellungen
Genre:	Chemie
Rubrik:	Naturwissenschaften & Technik
Medium:	Buch
Inhalt:	ix 400 S. 64 s/w Illustr. 194 farbige Illustr. 400 p. 258 illus. 194 illus. in color.
ISBN-13:	9789811008146
ISBN-10:	9811008140
Sprache:	Englisch
Herstellernummer:	978-981-10-0814-6
Ausstattung / Beilage:	HC runder Rücken kaschiert
Einband:	Gebunden
Redaktion:	Chemical Innovation, Japan Association For
Herausgeber:	Japan Association for Chemical Innovation
Auflage:	1st ed. 2016
Hersteller:	Springer Singapore Springer Nature Singapore
Maße:	241 x 160 x 27 mm
Von/Mit:	Japan Association For Chemical Innovation
Erscheinungsdatum:	09.08.2016
Gewicht:	0,856 kg

Artikel-ID: 103959869