| Wednesday, November 7, 2007: 3:30 PM-6:00 PM | |||
| Room 255 B (Salt Palace Convention Center) | |||
Energy Conversion (07f) | |||
| #487 - Molecular Modeling of Fuel Cells and Electrochemical Systems II (07F01) | |||
| This session will focus on the development and applications of computational chemistry and physics methods (ab initio, quantum and classical molecular dynamics, quantum and classical Monte Carlo, dynamic Monte Carlo) and multiscale modeling techniques to the understanding and design of materials and processes for fuel cells and other electrochemical power sources. We welcome papers including but not limited to the following topics: catalysis, electrocatalysis, ionic and electronic transport, electrode and electrolyte materials, dissolution, nucleation, electrodeposition, and corrosion. We welcome related experimental papers, especially if they are integrated with theoretical studies. | |||
| Chair: | Dean Wheeler | ||
| CoChair: | Michael Janik | ||
| 3:30 PM | 487a | Molecular Modeling Of Anhydrous Polymeric Membranes For Fuel Cells Stephen J. Paddison | |
| 3:50 PM | 487b | Characterization of Mediators Proposed to Better Facilitate Electron Transfer in Methanol Dehydrogenase Enzymatic Fuel Cells Katherine L. Keeton, Daniela S. Mainardi | |
| 4:10 PM | 487c | Methanol Electro-Oxidation by Ion-Modified Methanol Dehydrogenase Enzymes Nagesh B. Idupulapati, Daniela S. Mainardi | |
| 4:30 PM | 487d | A First Principles Study Of Direct Electrooxidation Of Aqueous Borohydride On Au And Pt Surfaces Michael Janik, Gholamreza Rostamikia | |
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