2006 AIChE Annual Meeting

Session: Molecular Modeling of Fuel Cells and Electrochemical Systems II

TBA

Chair

Perla Balbuena, Texas A&M University

Co-Chair

Dean Wheeler, Brigham Young University

Presentations

12:30 PM

(553a) Molecular Dynamics Simulations of Proton Solvation and Transport in Polymer Electrolyte Membranes
Matthew K. Petersen, Gregory A. Voth

12:49 PM

(553b) Molecular Studies of the Structural Properties of Hydrogen Gas in Liquid Water
Dubravko Sabo, Susan B. Rempe, Jeffery A. Greathouse, Marcus G. Martin

01:08 PM

(553c) Lithium Transport in Binary and Single Ion Conductor Liquid, Gel and Polymer Electrolytes
Oleg Borodin, Grant D. Smith

01:27 PM

(553d) Simulating the Electrochemical Double Layer Using Charge Dynamics
Dean Wheeler, Clint Guymon

01:46 PM

(553e) Theoretical Investigations of Modified Active Site Models for Fe-Only Hydrogenases
Yuguang Ma, Perla Balbuena

02:05 PM

(553f) Multi-Paradigm Simulations toward the Design of Improved Fuel Cell Catalysts and Membranes
William A. Goddard III, Boris Merinov, Seung Soon Jang, Wei Qiao Deng, Adri Van Duin, Gerald Voecks

02:24 PM

(553g) A Molecular Dynamics Study of Nafion Polyelectrolyte Membrane and the Aqueous Phase Structure for Proton Transport
Shengting Cui, Junwu Liu, Myvizhi E. Selvan, David J. Keffer, Brian J. Edwards, William V. Steele

02:42 PM

(553h) Molecular Dynamics Study on Hydrated Water-Soluble Dendrimer-Grafted Polymer Membrane for Pemfc
Seung Soon Jang, William A. Goddard III