2012 AIChE Annual Meeting

Session: Development of Intermolecular Potential Models

Chair

Michael R. Shirts, University of Virginia

Co-Chair

Saivenkataraman Jayaraman, Sandia National Laboratories

Presentations

03:15 PM

(335a) Applications of the Reaxff Method to Metal and Metal Oxide Surface Chemistry
Adri van Duin, Sung-Yup Kim, Chenyu Zou, Michael Janik

03:34 PM

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

03:53 PM

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

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
Ariel A. Chialvo

04:50 PM

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

05:09 PM

(335g) The Importance of Compressed Liquid Density in Unambiguously Characterizing Molecular Interactions
J Richard Elliott, Ehsan Moharreri, Ahmadreza F. Ghobadi