Session: Modeling and Simulation of Polymers I (2012 Annual Meeting)

Description:

This session focuses generally on simulation of polymeric materials. Topics of interest include, but are not limited to, development of new modeling and simulation techniques, application of modeling and simulation to provide insight into the properties and behavior of polymeric materials, and the development and use of multiscale techniques for polymeric materials. ***Note to faculty candidates: please include a note to the session chair during submission to alert them to your status***

Sponsor:

Polymers

Co-Sponsor(s):

Computational Molecular Science and Engineering Forum (21)

Chair:

Robert Riggleman
Assistant Professor
University of Pennsylvania
Chemical and Biomolecular Engineering
Philadelphia, PA 19104
Phone Number: 215-898-2411
Email: rrig@seas.upenn.edu

Co-Chair:

Ahmed E. Ismail
Junior Professor
RWTH Aachen University
Mechanical Engineering
AICES Graduate School
Aachen 52064
Email: aei@alum.mit.edu

Papers:

648a

Influence of Sequence Distribution Effects On the Phase Behavior and Interfacial Properties of Random Copolymers
Venkat Ganesan, The University of Texas at Austin; Victor Pryamitsyn, University of Texas at Austin; Gunja Pandav, The University of Texas at Austin

648b

Modeling Solvent-Gradient Chromatography of Complex Polymers Using Statistical Theory of Interaction Polymer Chromatography
Christopher J. Rasmussen, Rutgers, The State University of New Jersey; Yefim Brun, DuPont; Brian McCauley, DuPont; Alexander V. Neimark, Rutgers, The State University of New Jersey

648c

Impact of Solvent Quality On the Hysteresis in the Coil-Stretch Transition of Flexible Polymers
Rangarajan Radhakrishnan, Rensselaer Polytechnic Institute; Patrick T. Underhill, Rensselaer Polytechnic Institute

648d

Atomistic Molecular Dynamics Simulations of Model Ionomers
Dan S. Bolintineanu, Sandia National Laboratories; Mark Stevens, Sandia National Laboratories; Amalie L. Frischknecht, Sandia National Laboratories

648e

Stochastic Splitting Methods for Numerical Simulation of Rouse Chains in Flow
Michael Howard, Penn State University; Scott Milner, Pennsylvania State University

648f

Simulation of Polymer Crystal Growth with Various Morphologies Using a Phase-Field Model
Mohsen Asle Zaeem, Mississippi State University; Sasan Nouranian, Mississippi State University; Mark F. Horstemeyer, Mississippi State University; Paul T. Wang, Mississippi State University

648g

Reaction Coordinate for the Movement of Solvent Molecules in Glassy Amorphous Polymer
Li Xi, Massachusetts Institute of Technology; Bernhardt L. Trout, Massachusetts Institute of Technology

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

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