| COMP | Thursday, August 23, 2007 | ||
8:30 AM-11:40 AM BCEC -- 161, Oral | |||
Molecular Mechanics | |||
| Material Science | |||
| Organizer: | Emilio Xavier Esposito | ||
| Presiding: | Arthur J. Campbell | ||
| 8:30 AM | 438 | Atomistic predictions for clay exfoliation relevant to nanocomposites formation Ioana Cozmuta, M. Blanco, W. A. Goddard III | |
| 8:55 AM | 439 | Development of the reaxFF water potential to describe reactions involving proton transfer in the aqueous phase Adri CT. van Duin, Vyacheslav S. Bryantsev, Zhitao Xu, William A Goddard III | |
| 9:20 AM | 440 | Gas sorption and barrier properties of polymeric membranes from molecular dynamics and Monte Carlo simulations Ioana Cozmuta, M. Blanco, W. A. Goddard III | |
| 9:45 AM | Intermission | ||
| 10:00 AM | 441 | Modeling of sulfonated triblock copolymers with metal ions Jan Andzelm, James M. Sloan, Eugene Napadensky, Dawn M. Crawford | |
| 10:25 AM | 442 | Molecular dynamics study of liquids confined to sol-gels and their vibrational spectra Christine M. Morales, Ward H. Thompson | |
| 10:50 AM | 443 | Salt permeation in water-filled dipolar nanopores Kevin Leung | |
| 11:15 AM | 444 | Single chain in mean-field Monte Carlo simulations of block copolymer self-assembly Jed W. Pitera, Goundla Srinivas | |
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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007