2015 AIChE Annual Meeting Proceedings

Session: Modeling of Interfacial Systems

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

Chair

Ateeque Malani, Indian Institute of Technology Bombay

Co-Chair

Dmitry I. Kopelevich, University of Florida

Presentations

08:30 AM

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

08:45 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, Francisco R. Hung

09:00 AM

(303c) Surface Behavior of Octanoic Acid and Perfluorooctanoic Acid Surfactants
Phwey Gil, Daniel J. Lacks

09:15 AM

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

09:30 AM

(303e) Determining Wettability of CO2/Water/Mineral Systems with Monte Carlo Molecular Simulations
Adam R. Rall, Jeffrey R. Errington

09:45 AM

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

10:00 AM

(303g) Fluctuating Charge Approach for Modeling Polarizable Electrodes in Classical Molecular Simulations
Jenel Vatamanu, Dmitry Bedrov

10:15 AM

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

10:30 AM

(303i) Computation of the Equilibrium Morphology of Small Colloidal Crystals
Ray M. Sehgal, 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, Sharon C. Glotzer