Thursday, November 20, 2008: 3:15 PM-5:45 PM
Room 103-B (Pennsylvania Convention Center)

Polymers (08a)

#703 - Multiscale Modeling and Characterization of Polymers (08A17)
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
CoChair:Ahmed E. Ismail
3:15 PMMolecular Dynamics Studies on the Dispersion of Silica Nanoparticles in Polyethylene Melt Using a Coarse-Grained Model
Yangyang Shen, Aleksey Vishnyakov, M. Silvina Tomassone
3:33 PMNanoparticle Formation by Amphiphilic Block Copolymer Directed Assembly: A Model Study Using Molecular/brownian Dynamics Simulations
Chungyin Cheng, Monica H. Lamm, R. O. Fox, R. Dennis Vigil
3:51 PMMulti-Scale Modelling Efforts for Diblock Copolymers
Sharon Loverde, Vanessa Ortiz, Dennis E. Discher, Michael Klein
4:09 PMNumerical Study of Polymer-Silica Nanocomposites :Molecular Weight Effect on Their Mechanical Properties
Thomas R. Roussel, Joshua Moore, Keith Gubbins
4:27 PMA Multiscale Approach to Predicting Barrier Properties of Polymer Nanocomposites
Youthachack Landry Khounlavong, Venkat Ganesan, Victor Pryamitsyn
4:45 PMA 3-D Approach to Model Diffusion in Randomly Distributed Nanocomposite
Matteo Minelli, Marco Giacinti Baschetti, Ferruccio Doghieri
5:03 PMMolecular Simulation of Nanoscale Distribution and Mobility of Water and Dimethylmethylphosphonate in Sulfonated Polystyrene
Aleksey Vishnyakov, Alexander V. Neimark
5:21 PMCharacterization of Entangled Cross-Linked Poly(ethylene glycol) Hydrogels with Dangling Ends
Mahnaz Eskandari, Arsun Artel, Eric M. Brey, Ali Cinar

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