2009 Annual Meeting

Session: Industrial Applications of Computational Chemistry and Molecular Simulation II

Presentations

12:30 PM

(563a) Examine the Diffusive Behavior of Different Combinations of Ethanol and Water within An Amorphous Mixture of PDMS and High Silica ZSM-5 Zeolite by Molecular Simulation
Paul F. Harten

12:48 PM

(563b) The Fourier Correlation Method for Predicting Diffusivities in Multicomponent Mixtures Simulated by Molecular Dynamics
Dean R. Wheeler, Joseph W. Nichols

01:06 PM

(563c) Prediction of Environmental Impact of Energetic Materials in Silico
Nandhini Sokkalingam, Jeffery J. Potoff

01:24 PM

(563d) A Complete Multiscale Modeling Approach for Polymer-Clay Nanocomposites
Sabrina Pricl, Maurizio Fermeglia, Paola Posocco, Giulio Scocchi, Johannes Fraaije

01:42 PM

(563e) Investigation of Epoxy Network Formation by Simulation and Experiment
Michael Aldridge, Chandrashekar Shankar, Changgua Zhen, John Kieffer

02:00 PM

(563f) Investigations of Ring Opening Metathesis Polymerization (ROMP) of Cross-Linked Dicyclopentadiene (DCPD) Networks
Chandrashekar Shankar, Changgua Zhen, Michael Aldridge, John Kieffer

02:18 PM

(563g) Interactions of Epoxy-Based Polymers with Carbon Nanotubes Studied by Molecular Modeling
Andreas Bick, Klaus B. Stark

02:36 PM

(563h) Design of Polymer Scaffolds for Supported Catalysts Using Molecular Simulations
Andrew Swann, Wei Zhang, Marcus Weck