Preliminary Program subject to change
08A11 Multiscale Modeling and Characterization of Polymers
OverviewThis 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.
Primary SponsorPolymers (08a)
Co-Sponsor(s)Computational Molecular Science and Engineering Forum (21)

Chair

Peter Ludovice
Assoc. Professor
School of Chem. & Biomol. Engineering
Georgia Institute of Technology
Atlanta, GA 30332-0100
Phone Number: (404) 894-1835
Fax Number: (404) 894-2866
Email: pete.ludovice@chbe.gatech.edu

CoChair

Cameron F. Abrams
Drexel University
Department of Chemical Engineering
Philadelphia, PA 19104
Phone Number: 215-895-2231
Fax Number: 215-895-5837
Email: cfa22@drexel.edu
Welcoming Remarks
Semi-Grand Canonical Monte Carlo (Sgmc) Simulations to Interpret Non-Equilibrium Polymer Melt Experiments
Frederick E. Bernardin III, Chemical Engineering, Massachusetts Institute of Technology, 66-453, 77 Massachusetts Avenue, Cambridge, MA 02139-4307 and Gregory C. Rutledge, Massachusetts Institute of Technology, 77 Mass Ave 66-368, Cambridge, MA 02139
Monte Carlo Simulations of the Interlamellar Region in Semi-Crystalline Isotactic Polypropylene
Vikram K. Kuppa, Chemical Engineering, Massachusetts Institute of Technology, 77 Mass Ave, Building 66 Room No-453, Cambridge, MA 02139 and Gregory C. Rutledge, Chemical Engineering, Massachusetts Institute of Technology, 77 Mass Ave, Builder 66 Room No-352, Cambridge, MA 02139
Entanglements and Underlying Topology in Polymer Melts : from Atomistic Models to Entanglement Networks
Christos Tzoumanekas, Chemical Engineering, National Technical University of Athens, 9 Heroon Polytechniou Street, Zografou Campus, Athens, 15780, Greece and Doros N. Theodorou, Chemical Engineering, National Technical University of Athens, 9 Heroon Polytechniou Street, Zografou Campus, Athens, 157 80, Greece
Spinodal Decomposition of Rodlike Liquid Crystals
Micah J. Green, Department of Chemical Engineering, Massachusetts Institute of Technology, 25 Ames St., 66-258, Cambridge, MA 02139, Robert A. Brown, Boston University, President's Office, 1 Sherborn Street, Boston, MA 02215 and Robert C. Armstrong, MIT, Department of Chemical engineering, MIT, 25 Ames street, Room 66-360, Cambridge, MA 02139
Molecular Modeling of Entanglements in Macromolecules by Using a Coarse-Grained Slip-Link Model
Jay D. Schieber1, Deepa M. Nair2 and Thidaporn Kitkrailard1, (1)Illinois Institute of Technology, 10 W 33rd St, Chicago, IL 60616, (2)Illinois Institute of Technology, 10 W. 33rd Street, Chicago, IL 60616
Movement Selection for Modeling Biopolymers in a 3-D Lattice
Erin N. Sawardecker1, Marta Sales-Pardo2 and Luis A.N. Amaral2, (1)Chemical and Biological Engineering, Northwestern University, 2145 Sheridan Rd, TECH E136, Evanston, IL 60208, (2)Chemical & Biological Engineering, Northwestern University, 2145 Sheridan Rd, TECH E136, Evanston, IL 60208
Diffusion in Polystyrene: a Multi-Scale Approach
Pravin Kannan1, Joseph J. Biernacki2 and Donald P. Visco1, (1)Chemical Engineering, Tennessee Technological University, Department of Chemical Engineering, P.O. Box 5013, Cookeville, TN 38505, (2)Tennessee Technological University, Department of Chemical Engineering, P.O. Box 5013, Cookeville, TN 38505
Concluding Remarks

Materials Engineering and Sciences Division