Polymers | |||
| Session 290 - 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 | ||
| CoChair: | Cameron F. Abrams | ||
| CoSponsor(s): | Computational Molecular Science and Engineering Forum | ||
| Welcoming Remarks | |||
| 290a | Semi-Grand Canonical Monte Carlo (Sgmc) Simulations to Interpret Non-Equilibrium Polymer Melt Experiments Frederick E. Bernardin III, Gregory C. Rutledge | ||
| 290b | Monte Carlo Simulations of the Interlamellar Region in Semi-Crystalline Isotactic Polypropylene Vikram K. Kuppa, Gregory C. Rutledge | ||
| 290c | Entanglements and Underlying Topology in Polymer Melts : from Atomistic Models to Entanglement Networks Christos Tzoumanekas, Doros N. Theodorou | ||
| 290d | Spinodal Decomposition of Rodlike Liquid Crystals Micah J. Green, Robert A. Brown, Robert C. Armstrong | ||
| 290e | Molecular Modeling of Entanglements in Macromolecules by Using a Coarse-Grained Slip-Link Model Jay D. Schieber, Deepa M. Nair, Thidaporn Kitkrailard | ||
| 290f | Movement Selection for Modeling Biopolymers in a 3-D Lattice Erin N. Sawardecker, Marta Sales-Pardo, Luis A.N. Amaral | ||
| 290g | Diffusion in Polystyrene: a Multi-Scale Approach Pravin Kannan, Joseph J. Biernacki, Donald P. Visco | ||
| Concluding Remarks | |||
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