2006 AIChE Annual Meeting

Session: Multiscale Modeling and Characterization of Polymers

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

Peter Ludovice, Georgia Institute of Technology

Co-Chair

Cameron F. Abrams, Drexel University

Presentations

03:15 PM

Welcoming Remarks

03:20 PM

(290a) Semi-Grand Canonical Monte Carlo (Sgmc) Simulations to Interpret Non-Equilibrium Polymer Melt Experiments

Frederick E. Bernardin, Gregory C. Rutledge

03:40 PM

(290b) Monte Carlo Simulations of the Interlamellar Region in Semi-Crystalline Isotactic Polypropylene

Vikram K. Kuppa, Gregory C. Rutledge

04:00 PM

(290c) Entanglements and Underlying Topology in Polymer Melts : from Atomistic Models to Entanglement Networks

Christos Tzoumanekas, Doros N. Theodorou

04:20 PM

(290d) Spinodal Decomposition of Rodlike Liquid Crystals

Micah J. Green, Robert A. Brown, Robert Armstrong

04:40 PM

(290e) Molecular Modeling of Entanglements in Macromolecules by Using a Coarse-Grained Slip-Link Model

Jay D. Schieber, Deepa M. Nair, Thidaporn Kitkrailard

05:00 PM

(290f) Movement Selection for Modeling Biopolymers in a 3-D Lattice

Erin N. Sawardecker, Marta Sales-Pardo, Luis A.N. Amaral

05:20 PM

(290g) Diffusion in Polystyrene: a Multi-Scale Approach

Pravin Kannan, Joseph J. Biernacki, Donald P. Visco

05:40 PM

Concluding Remarks