677 Applications of Molecular Modeling to Study Interfacial Phenomena II

Thursday, November 12, 2015: 12:30 PM - 3:00 PM
255A (Salt Palace Convention Center)

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 Errington Email: jerring@buffalo.edu
Jindal Shah Email: Jindal.K.Shah.7@nd.edu
- indicates paper has an Extended Abstract file available on CD.

12:46 PM
(677b) Molecular Dynamic Simulation of Clay Particles Swelling
Hassan Dashtian, Sahar Bakhshian, Yafan Yang and Muhammad Sahimi

File available
1:02 PM
(677c) Disruption of Ice Adhesion through Surface Functionalization
Ben Schweitzer, Nick McDougall, Joseph Smith, Christopher Wohl, Richard Kreeger and Jose Palacios

2:22 PM
(677h) Molecular Dynamics Study of the Degradation of Alkylsilane Monolayers Under Shear
Andrew Z. Summers, Christopher R. Iacovella, Matthew R. Billingsley, Steven T. Arnold, Peter T. Cummings and Clare McCabe