Thursday, November 8, 2007: 8:30 AM-11:00 AM
Room 259 (Salt Palace Convention Center)

Polymers (08a)

#543 - Multiscale Modeling and Characterization of Polymers (08A13)
This session focuses on multiscale simulation to characterize the behavior of polymeric materials and produce insight into structure property relationships. The appropriate simulation protocols span or connect two or more scales of time, size or detail in the polymeric materials.
Chair:Coray M. Colina
Cochairs:Peter Ludovice
Manolis Doxastakis
CoSponsor(s):Computational Molecular Science and Engineering Forum (21)
8:30 AMStructural and Dynamical Properties of Polystyrene Determined by Coarse-Graining MD Simulations
Vagelis Hamandaris, Dirk Reith, Nico F.A. van der Vegt, Kurt Kremer
8:48 AMRheological And Entanglement Characteristics Of Polyethylene Liquids And Visualization Of Conformational Changes In Shear And Elongational Flows
Jun Mo Kim, David J. Keffer, Martin Kröger, Brian J. Edwards
9:06 AMFree Volume And Transport Properties In Polymeric Materials
Xiao-Yan Wang, Benny D. Freeman, Isaac C. Sanchez
9:24 AMTransport Properties in Nanocomposites: Modeling Cfd Approach for Randomly Distributed Systems
Matteo Minelli, Marco Giacinti Baschetti, Ferruccio Doghieri
9:42 AMMesoscale Simulations Of Hydrated Nafion Membranes
Aleksey Vishnyakov, Alexander V. Neimark
10:00 AMMultiscale Simulations Of Fluid Flow Through Polymer Grafted “Smart” Nano- And Micro-Porous Materials
Zhengmin Li, Donald Brenner
10:18 AMDevelopment of Structure-Property Relationships for Biobased Polymers Using Quantum and Molecular Mechanics Simulations
David Bruce, James McAliley

See more of Materials Engineering and Sciences Division

See more of The 2007 Annual Meeting