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Computer Simulation of Polymeric Materials = Applications of the OCTA System /
紀錄類型:
書目-語言資料,印刷品 : Monograph/item
正題名/作者:
Computer Simulation of Polymeric Materials/ edited by Japan Association for Chemical Innovation.
其他題名:
Applications of the OCTA System /
其他作者:
Chemical Innovation, Japan Association for.
面頁冊數:
IX, 400 p. 258 illus., 194 illus. in color.online resource. :
Contained By:
Springer Nature eBook
標題:
Chemoinformatics. -
電子資源:
https://doi.org/10.1007/978-981-10-0815-3
ISBN:
9789811008153
Computer Simulation of Polymeric Materials = Applications of the OCTA System /
Computer Simulation of Polymeric Materials
Applications of the OCTA System /[electronic resource] :edited by Japan Association for Chemical Innovation. - 1st ed. 2016. - IX, 400 p. 258 illus., 194 illus. in color.online resource.
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.
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.
ISBN: 9789811008153
Standard No.: 10.1007/978-981-10-0815-3doiSubjects--Topical Terms:
1256018
Chemoinformatics.
LC Class. No.: QD39.3.E46
Dewey Class. No.: 541.0285
Computer Simulation of Polymeric Materials = Applications of the OCTA System /
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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.
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