| 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 AM | 543a | Structural 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 AM | 543b | Rheological 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 AM | 543c | Free Volume And Transport Properties In Polymeric Materials Xiao-Yan Wang, Benny D. Freeman, Isaac C. Sanchez | |
| 9:24 AM | 543d | Transport Properties in Nanocomposites: Modeling Cfd Approach for Randomly Distributed Systems Matteo Minelli, Marco Giacinti Baschetti, Ferruccio Doghieri | |
| 9:42 AM | 543e | Mesoscale Simulations Of Hydrated Nafion Membranes Aleksey Vishnyakov, Alexander V. Neimark | |
| 10:00 AM | 543g | Multiscale Simulations Of Fluid Flow Through Polymer Grafted “Smart” Nano- And Micro-Porous Materials Zhengmin Li, Donald Brenner | |
| 10:18 AM | 543h | Development of Structure-Property Relationships for Biobased Polymers Using Quantum and Molecular Mechanics Simulations David Bruce, James McAliley | |
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