Computer Simulation of Polymeric Materials Applications of the OCTA System /

• Corporate Author: SpringerLink (Online service)
• Other Authors: Chemical Innovation, Japan Association for (Editor)
• Format: Electronic eBook
• Language: English
• Published: Singapore : Springer Singapore : Imprint: Springer, 2016.
• Subjects: Chemistry.; Chemoinformatics.; Polymers.; Materials > Surfaces.; Thin films.; Computer Applications in Chemistry.; Polymer Sciences.; Surfaces and Interfaces, Thin Films.

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 gove...

Table of Contents:

• 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.