Modeling and Simulation of Polymers I

Chair(s):
Ismail, A. E., Sandia National Laboratories
Co-chair(s):
Kalra, V., Drexel University

This session focuses generally on simulation of polymeric materials. Topics of interest include, but are not limited to, development of new simulation/modeling techniques, application of modeling/simulation to provide insight into the properties and behavior of polymeric materials, and the development and use of multi-scale techniques for polymeric materials.

Papers:
12:30 PM
(103a) Coarse-Graining of Nanocoating Using MARTINI Force Field for Mechanical Property Evaluation
12:55 PM
(103b) Morphology Dependent Hydrophobic Drug Partitioning In PEO-PCL Micelles Investigated with Coarse-Grained Molecular Dynamics
1:20 PM
(103c) A Comparison Between Polymer Salt and Ionomer for Battery Applications
1:45 PM
(103d) Simulation of Gas Diffusion In Polymer Nanocomposites
2:10 PM
(103e) Analysis of AFM Results with MD Calculations On Single-Molecule Stretching of Poly(ethylene oxide) In Water and Hexane
2:35 PM
(103f) Molecular Dynamics Simulations of An Oxidized Vapor-Grown Carbon Nanofiber and Vinyl Ester Resin Interactions Leading to a Possible Interphase Formation In the Cured Nanocomposite
Topics: 
Physical Properties

Checkout

Paper abstracts are public but to access Extended Abstracts, you must first purchase the conference proceedings.

Checkout

Do you already own this?

Pricing

Individuals

AIChE Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
Non-Members $225.00