303 Modeling of Interfacial Systems

Tuesday, November 10, 2015: 8:30 AM - 11:00 AM
Canyon A (Hilton Salt Lake City Center)

Description:
The focus of this session will be on simulation studies of interfacial systems

Sponsor:
Interfacial Phenomena
Co-Sponsor(s):
Thermodynamics and Transport Properties (01A)
Chair:
Ateeque Malani Email: amalani@iitb.ac.in
Co-Chair:
Dmitry I. Kopelevich Email: dkopelevich@che.ufl.edu


8:30 AM
(303a) Molecular Dynamics Simulations of Hydrophobins Encapsulating Organic Molecules
Yuwu Chen, Thilanga P. Liyana-Arachchi, Amitava D. Roy, Paul Russo and Francisco R. Hung


8:45 AM
(303b) Molecular Simulation of Oil and Dispersant Components in Interfaces Involving Air, Seawater and Oil
Zenghui Zhang, Thilanga liyana-Arachchi, Paria Avij, Kalliat T. Valsaraj, Jennifer Field and Francisco R. Hung


9:00 AM
(303c) Surface Behavior of Octanoic Acid and Perfluorooctanoic Acid Surfactants
Phwey Gil and Daniel J. Lacks


9:15 AM
(303d) Heterogeneous Ice Nucleation and Growth: What Effects Do Surfaces Have?
Brittany Glatz and Sapna Sarupria


9:30 AM
(303e) Determining Wettability of CO2/Water/Mineral Systems with Monte Carlo Molecular Simulations
Adam R. Rall and Jeffrey R. Errington


9:45 AM
(303f) Screening Functions for Polarizable Force-Fields Via Force-Matching: A Promising Approach for Coarse-Graining Electrostatic Interactions
Jenel Vatamanu and Dmitry Bedrov


10:00 AM
(303g) Fluctuating Charge Approach for Modeling Polarizable Electrodes in Classical Molecular Simulations
Jenel Vatamanu and Dmitry Bedrov


10:15 AM
(303h) Coarse Grained Parameterization of Gram-Negative Bacterial Outer Membrane
Huilin Ma, Flaviyan Jerome Irudayanathan, Wenjuan Jiang and Shikha Nangia


10:30 AM
(303i) Computation of the Equilibrium Morphology of Small Colloidal Crystals
Ray M. Sehgal and Dimitrios Maroudas


10:45 AM
(303j) Assessing the Thermodynamic Stability of Ordered Phases of Hard Facetted Building Blocks
Amir Haji-Akbari, Pablo F. Damasceno, Michael Engel and Sharon C. Glotzer
See more of this Group/Topical: Engineering Sciences and Fundamentals
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