2017 Annual Meeting

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-Chairs

Ketan S. Khare, National Institute of Standards and Technology
Patricia Taboada-Serrano, Rochester Institute of Technology

Presentations

08:03 AM

(83a) Using Molecular Simulation to Understand the Interfacial Behavior of Ionic Liquids
Jeffrey R. Errington, Xiaoyu Liang

08:21 AM

(83b) Capacitance and Ion Dynamics of Ionic Liquids Near Oxidized Graphene
Boris Dyatkin, Yu Zhang, Yury Gogotsi, Peter Cummings

08:39 AM

(83c) Using Simulations and Experiments to Characterize Water Structure Near Mica Surfaces for Heterogeneous Ice Nucleation
Sapna Sarupria, Brittany Glatz, Jiarun Zhou

08:57 AM

(83d) A Novel Density Gradient Theory for Surfactant Molecules – Applied to Oil/Water Interfaces
Xiaoqun Mu, Walter Chapman

09:15 AM

(83e) Computational Chemistry Design of Liquid Crystal-Based Chemoresponsive Systems with Increased Water Tolerance
Tibor Szilvási, Huaizhe Yu, Prabin Rai, Robert Twieg, Nicholas L. Abbott, Manos Mavrikakis

09:33 AM

(83f) Thin Liquid Film Stability in Various Interaction Regimes Arising Due to Surface Active Agents
Paidi Venkatesh Kumar, U Hariharan, Anjishnu Choudhury, Harish N. Dixit, Sreeram K. Kalpathy

09:51 AM

(83g) A Semi-Empirical Analytical Model for Determining the Thermodynamic Stability of Pickering Emulsion
Guolin Zhao, Junyin Xiao, Yanyang Wu, Shuangliang Zhao, Honglai Liu

10:09 AM

(83h) Computational Method for Extracting Individual Adsorption Parameters from Experimental Dynamic Interfacial Tension of Mixed Surfactant Solutions
Nelya Akhmetkhanova, Fang Liu, Vincent Pauchard