2017 Annual Meeting

Session: Molecular Simulation of Surface, Interface and Confinement Effects - In Honor of Keith Gubbins' 80th Birthday I (Invited Talks)

Molecular Simulation of Surface, Interface and Confinement Effects - In Honor of Keith Gubbins' 80th Birthday I

Chair

Liangliang Huang, University of Oklahoma

Co-Chairs

Erik Santiso, NC State University
Francisco Hung, Northeastern University

Presentations

08:00 AM

(84a) Atomistic Simulations of Ordered and Disordered Carbons: "Mimicking" Versus "Targeting"
Roland J.-M. Pellenq

08:19 AM

(84b) Graphene Oxide Membranes: A Molecular Simulation Approach
Christopher Williams, Paola Carbone, Flor R. Siperstein

08:38 AM

(84c) Polyethylene Oxide (PEO) in a Polyethylene (PE) Framework: A Simple Model for Simulation Studies of Scaling and Solvent Effects on Polymers in an Open Framework
Nicholas Quirke, Kwong Yu Chan, Liangxu Xie

08:57 AM

(84d) Molecular Understanding and Design of Zwitterionic Materials
Shaoyi Jiang

09:16 AM

(84e) Interfacial Transport of Protons on a 2-Dimensional Functionalized Graphane Surface
Karl Johnson, Abhishek Bagusetty, Bridget Derksen, Pabitra Choudhury

09:35 AM

(84f) Gas Adsorption Behavior in Ionic Polyimide Composite Membranes
C. Heath Turner, Asghar Abedini, Ellis Crabtree, Jason E. Bara

09:54 AM

(84g) Computational Simulation of Supported Nanocatalysts Under Realistic Conditions
Jian-guo Wang