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Publications
Proceedings
2012 AIChE Annual Meeting
Engineering Sciences and Fundamentals
Development of Intermolecular Potential Models
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
