LEADER 04260nam 22005415 450 001 9910254034803321 005 20200704014652.0 010 $a981-10-0815-9 024 7 $a10.1007/978-981-10-0815-3 035 $a(CKB)3710000000765479 035 $a(DE-He213)978-981-10-0815-3 035 $a(MiAaPQ)EBC4618394 035 $a(PPN)194513572 035 $a(EXLCZ)993710000000765479 100 $a20160730d2016 u| 0 101 0 $aeng 135 $aurnn|008mamaa 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aComputer Simulation of Polymeric Materials $eApplications of the OCTA System /$fedited by Japan Association for Chemical Innovation 205 $a1st ed. 2016. 210 1$aSingapore :$cSpringer Singapore :$cImprint: Springer,$d2016. 215 $a1 online resource (IX, 400 p. 258 illus., 194 illus. in color.) 311 $a981-10-0814-0 320 $aIncludes bibliographical references at the end of each chapters and index. 327 $aExpected 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. 330 $aThis 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. 606 $aChemoinformatics 606 $aPolymers   606 $aMaterials?Surfaces 606 $aThin films 606 $aComputer Applications in Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C13009 606 $aPolymer Sciences$3https://scigraph.springernature.com/ontologies/product-market-codes/C22008 606 $aSurfaces and Interfaces, Thin Films$3https://scigraph.springernature.com/ontologies/product-market-codes/Z19000 615 0$aChemoinformatics. 615 0$aPolymers  . 615 0$aMaterials?Surfaces. 615 0$aThin films. 615 14$aComputer Applications in Chemistry. 615 24$aPolymer Sciences. 615 24$aSurfaces and Interfaces, Thin Films. 676 $a541.0285 702 $aChemical Innovation$b Japan Association for$4edt$4http://id.loc.gov/vocabulary/relators/edt 906 $aBOOK 912 $a9910254034803321 996 $aComputer Simulation of Polymeric Materials$92504655 997 $aUNINA