Session: Multiscale Modeling and Characterization of Polymers (2009 Annual Meeting)

Thursday, November 12, 2009: 3:15 PM

Lincoln A (Gaylord Opryland Hotel)

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

Co-Sponsor(s):

Computational Molecular Science and Engineering Forum (21)

Co-chairs:

3:15 PM

(621a) Coarse-Grained Computer Simulations of Polymer/Fullerene Bulk Heterojunctions for Photovoltaic Applications
David M. Huang, Khanh Do, Roland Faller and Adam J. Moulé

3:40 PM

(621b) A Systematic Coarse-Graining Method to Predict the Properties of Polymer Nanocomposites
Youthachack Landry Khounlavong, Venkat Ganesan and Victor Pryamitsyn

4:05 PM

(621c) Computational Modeling of Polymer Encapsulated Nanoparticles Using Self-Consistent Field Theory
Tanya L. Chantawansri, Carlos J. Garcia-Cervera, Hector D. Ceniceros and Glenn H. Fredrickson

4:30 PM

(621d) Kinetic Monte Carlo Simulation of Branch-Length Distribution in the Seeded, Semibatch Emulsion Polymerization of Butyl Acrylate
Jonathan A. Rawlston, Martha Grover and F. Joseph Schork

4:55 PM

(621e) Molecular Dynamics of Continuous Chains: A Reduced-Order Simulation Model
Aruna Mohan and Glenn Fredrickson

5:20 PM

(621f) Computational Design of Polymer-Clay Nanocomposites: A Multiscale Hierarchical Approach for Barrier Property Prediction
Jie Xiao and Yinlun Huang

See more of this Group/Topical: Materials Engineering and Sciences Division