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Multiscale Modeling and Characterization of Polymers

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

Description:
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.


Sponsor:
Polymers


Chair:
Coray M. Colina
Email: colina@matse.psu.edu

CoChair:
Ahmed E. Ismail
Email: aei@alum.mit.edu


3:15 PM
(703a) Molecular Dynamics Studies on the Dispersion of Silica Nanoparticles in Polyethylene Melt Using a Coarse-Grained Model
Yangyang Shen, Aleksey Vishnyakov and M. Silvina Tomassone

3:33 PM
(703b) Nanoparticle Formation by Amphiphilic Block Copolymer Directed Assembly: A Model Study Using Molecular/brownian Dynamics Simulations
Chungyin Cheng, Monica H. Lamm, R. O. Fox and R. Dennis Vigil

3:51 PM
(703c) Multi-Scale Modelling Efforts for Diblock Copolymers
Sharon Loverde, Vanessa Ortiz, Dennis E. Discher and Michael Klein

4:09 PM
(703d) Numerical Study of Polymer-Silica Nanocomposites :Molecular Weight Effect on Their Mechanical Properties
Thomas R. Roussel, Joshua Moore and Keith Gubbins

4:27 PM
(703e) A Multiscale Approach to Predicting Barrier Properties of Polymer Nanocomposites
Youthachack Landry Khounlavong, Venkat Ganesan and Victor Pryamitsyn

4:45 PM
(703f) A 3-D Approach to Model Diffusion in Randomly Distributed Nanocomposite
Matteo Minelli, Marco Giacinti Baschetti and Ferruccio Doghieri

5:03 PM
(703g) Molecular Simulation of Nanoscale Distribution and Mobility of Water and Dimethylmethylphosphonate in Sulfonated Polystyrene
Aleksey Vishnyakov and Alexander V. Neimark

5:21 PM
(703h) Characterization of Entangled Cross-Linked Poly(ethylene glycol) Hydrogels with Dangling Ends
Mahnaz Eskandari, Arsun Artel, Eric M. Brey and Ali Cinar
See more of this Group/Topical: Materials Engineering and Sciences Division
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