2016 AIChE 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-Chair

Stephanie Lam, National Institute of Standards and Technology

Presentations

03:30 PM

(37j) Density Gradient Theory for Modeling Interfacial Properties of Surfactant Systems
Xiaoqun Mu, Walter Chapman, Faruk O. Alpak

03:45 PM

(37b) A Simple-to-Apply Predictive Wetting Model for Textured (Rough/Patterned) Surfaces and the Role of Re-Entrant Cavities
Szu-Ying Chen, Yair Kaufman, Himanshu Mishra, Alex Schrader, Dong-woog Lee, Saurabh Das, Stephen H. Donaldson, Jacob N. Israelachvili

04:00 PM

(37c) Obtaining Solid-Liquid Interfacial Free Energy for Realistic Systems 
Kristen Fichthorn, Xin Qi

04:15 PM

(37d) Protein Interfacial Behavior Studied with Multiscale Simulations
Mohammadreza Samieegohar, Tao Wei

04:30 PM

(37e) Modeling Surface-Anchored Nematic Liquid Crystals for Chemoresponsive Application
Tibor Szilvási, Luke T. Roling, Huaizhe Yu, Prabin Rai, Robert Twieg, Nicholas L. Abbott, Manos Mavrikakis

04:45 PM

(37f) Molecular Dynamics Simulations of HIV-1 Regulatory Protein on Graphene
Jian Zhou

05:00 PM

(37g) A Thermodynamic Approach to Interfacial Transport Phenomen
David Venerus, Hans Christian Öttinger

05:15 PM

(37h) Adhesion and Translocation of Nanoparticles through Lipid Bilayers Studied By Mesoscale Simulations
Sean Burgess, Alexander V. Neimark, Zhengjia Wang, Aleksey Vishnyakov

05:30 PM

(37i) Calculating the Interfacial Properties of CO2/Water/Silica Systems Using Monte Carlo Molecular Simulations
Adam R. Rall, Jeffrey R. Errington