2006 AIChE Annual Meeting

Session: Molecular Modeling of Fuel Cells and Electrochemical Systems II

TBA

Chair

Balbuena, P., Texas A&M University

Co-Chair

Wheeler, D., Brigham Young University

Presentations

12:30 PM

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

12:49 PM

(553b) Molecular Studies of the Structural Properties of Hydrogen Gas in Liquid Water
Sabo, D., Rempe, S. B., Greathouse, J. A., Martin, M. G.

01:08 PM

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

01:27 PM

(553d) Simulating the Electrochemical Double Layer Using Charge Dynamics
Wheeler, D., Guymon, C.

01:46 PM

(553e) Theoretical Investigations of Modified Active Site Models for Fe-Only Hydrogenases
Ma, Y., Balbuena, P.

02:05 PM

(553f) Multi-Paradigm Simulations toward the Design of Improved Fuel Cell Catalysts and Membranes
Goddard III, W. A., Merinov, B., Jang, S. S., Deng, W. Q., Van Duin, A., Voecks, G.

02:24 PM

(553g) A Molecular Dynamics Study of Nafion Polyelectrolyte Membrane and the Aqueous Phase Structure for Proton Transport
Cui, S., Liu, J., Selvan, M. E., Keffer, D. J., Edwards, B. J., Steele, W. V.

02:42 PM

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