Thursday, November 12, 2009: 12:30 PM
Jackson A (Gaylord Opryland Hotel)
Description:
Papers are solicited that illustrate new applications of computational chemistry and molecular simulation to industrial problems. Papers exploring novel applications of well established software as well as more exploratory algorithmic development are welcomed. Simulations of chemical reactions, equilibria, and transport would be appropriate for this session, as would the molecular aspects of materials modeling. Thus, this session is expected to encompass a diverse range of application areas.
Sponsor:
Computational Molecular Science and Engineering Forum
Co-Sponsor(s):
Thermodynamics and Transport Properties (01a)
Chair:
Co-Chair:
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
12:48 PM
(563b)
The Fourier Correlation Method for Predicting Diffusivities in Multicomponent Mixtures Simulated by Molecular Dynamics
2:00 PM
(563f)
Investigations of Ring Opening Metathesis Polymerization (ROMP) of Cross-Linked Dicyclopentadiene (DCPD) Networks
2:18 PM
See more of this Group/Topical: Computational Molecular Science and Engineering Forum