2012 AIChE Annual Meeting

Session: Development of Intermolecular Potential Models

Chair

Shirts, M. R., University of Virginia

Co-Chair

Jayaraman, S., Sandia National Laboratories

Presentations

03:15 PM

(335a) Applications of the Reaxff Method to Metal and Metal Oxide Surface Chemistry
van Duin, A., Kim, S. Y., Zou, C., Janik, M.

03:34 PM

(335b) Liquid-Vapor and Liquid-Liquid Phase Equilibria in Binary Alloys with Modified Quantum-Corrected Sutton-Chen Potentials
Zhang, D.

03:53 PM

(335c) Force Field for Describing the Colloidal Synthesis of Ag Nanostructures Via the Polyol Process
Fichthorn, K.

04:12 PM

(335d) Trappe-Zeo: Transferable Potentials for Phase Equilibria Force Field for All-Silica Zeolites

04:31 PM

(335e) Development of Force Field for Salts and Their Aqueous Solutions
Chialvo, A. A.

04:50 PM

(335f) Tetrahedrality At Hydrophobic Interfaces in a Coarse-Grained Water Model
Chaimovich, A.

05:09 PM

(335g) The Importance of Compressed Liquid Density in Unambiguously Characterizing Molecular Interactions
Elliott, J. R., Moharreri, E., Ghobadi, A. F.