Thursday, November 16, 2006: 12:30 PM-3:00 PM
Union Square 3 & 4 (Hilton San Francisco)
#553 - Molecular Modeling of Fuel Cells and Electrochemical Systems II (21019)
Chair:Perla B. Balbuena
CoChair:Dean Wheeler
12:30 PMMolecular Dynamics Simulations of Proton Solvation and Transport in Polymer Electrolyte Membranes
Matthew K. Petersen, Gregory A. Voth
12:49 PMMolecular Studies of the Structural Properties of Hydrogen Gas in Liquid Water
Dubravko Sabo, Susan B. Rempe, Jeffery A. Greathouse, Marcus G. Martin
1:08 PMLithium Transport in Binary and Single Ion Conductor Liquid, Gel and Polymer Electrolytes
Oleg Borodin, Grant D. Smith
1:27 PMSimulating the Electrochemical Double Layer Using Charge Dynamics
Dean Wheeler, Clint Guymon
1:46 PMTheoretical Investigations of Modified Active Site Models for Fe-Only Hydrogenases
Yuguang Ma, Perla B. Balbuena
2:05 PMMulti-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 C. Van Duin, Gerald Voecks
2:24 PMA Molecular Dynamics Study of Nafion Polyelectrolyte Membrane and the Aqueous Phase Structure for Proton Transport
S. T. Cui, Junwu Liu, Myvizhi E. Selvan, David J. Keffer, Brian J. Edwards, William V. Steele
2:42 PMMolecular Dynamics Study on Hydrated Water-Soluble Dendrimer-Grafted Polymer Membrane for Pemfc
Seung Soon Jang, William A. Goddard III

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