62 Applications of Molecular Modeling to Study Interfacial Phenomena I

Monday, November 14, 2016: 8:00 AM - 10:30 AM
Yosemite A (Hilton San Francisco Union Square)
We invite contributions that focus on the use of computational tools (e.g., molecular dynamics, Monte Carlo, density functional theory) to study interfacial phenomena, including wetting, adsorption, and surfactants.

Computational Molecular Science and Engineering Forum

Jeffrey R. Errington
Email: jerring@buffalo.edu

Jindal K. Shah
Email: jindal.shah@okstate.edu

- indicates paper has an Extended Abstract file available on the online proceeding.

8:00 AM
(62a) Molecular Dynamics Study of Surfactant and Oil Interactions at Saltwater-Air Interfaces
Leebyn Chong, Yungchieh Lai, Fan Shi, McMahan L. Gray, Yee Soong and Yuhua Duan
File available
8:15 AM

9:00 AM

9:30 AM
(62g) Molecular Simulation of Metal-Ionic Liquid Interfaces
Matt Thompson, Peter T. Cummings, Robert Sacci, Jennifer Black and Nina Balke

10:00 AM