| GEOC | Tuesday, March 30, 2004 | ||
8:00 AM-11:40 AM Marriott -- Marquis NW, Oral | |||
Interfacial Phenomena: Linking Atomistic and Macroscopic Properties | |||
| Theoretical and Experimental Studies of the Structure and Reactivity of Mineral Surfaces | |||
| Organizers: | David J. Wesolowski Gordon E. Brown Jr. | ||
| 8:00 AM | Introductory Remarks | ||
| 8:10 AM | 65 | Predicting the impact of the environment on the structure and chemistry of metal oxide surfaces Anne M. Chaka | |
| 8:40 AM | 66 | Crystal truncation rod diffraction study of the hydrated hematite (1-102) surface Thomas P. Trainor, Peter J. Eng, Jeffrey G. Catalano, Gordon E. Brown Jr., Glenn Waychunas | |
| 9:00 AM | 67 | Surface EXAFS and diffraction study of arsenate sorption on hematite single crystals Glenn Waychunas, Thomas P. Trainor, Peter Eng, Matthew Newville, Jeffrey G. Catalano, Gordon E. Brown Jr. | |
| 9:20 AM | 68 | Atomic structure at rutile TiO2 (110)-aqueous interface with crystal truncation rod measurements Zhan Zhang, Paul Fenter, Michael J. Bedzyk, Neil C. Sturchio, Michael L. Machesky, David J. Wesolowski | |
| 9:40 AM | Intermission | ||
| 9:50 AM | 69 | Periodic density functional theory calculations of the TiO2-H2O interface and Zn(II) adsorption onto the (110) face of rutile J. D. Kubicki, A. V. Bandura | |
| 10:10 AM | 70 | Hydrogen bonding and hydrolysis at the rutile-water interface: Ab initio and molecular dynamics insights and implications for surface complexation modeling Michael L. Machesky, James D. Kubicki, A. V. Bandura, Milan Predota, David J. Wesolowski, Moira K. Ridley, Pascale Bénézeth | |
| 10:30 AM | 71 | New approach for predicting acidity constants: Combining bond-valence and ab initio methods Barry R. Bickmore, Christopher J. Tadanier, Kevin M Rosso | |
| 10:50 AM | 72 | Neutron scattering from interfacial systems Robert K Thomas | |
| 11:20 AM | 73 | Importance of defects on the reactivity of pyrite Martin A Schoonen, Daniel R Strongin | |
Interfacial Phenomena: Linking Atomistic and Macroscopic Properties -- Next Session
Symposium Grid -- Division of Geochemistry -- Session Listing
The 227th ACS National Meeting, Anaheim, CA, March 28-April 1, 2004