| I&EC | Monday, 11 September 2006 | ||
1:30 PM-5:00 PM Moscone Center -- Room 252/254, Oral | |||
Computational Material Design in Chemical Industries, Sponsored by Novel Chemistry with Industrial Applications Sub-Division | |||
| Organizers: | Anthony Cugini David Sholl Hongmei Wen | ||
| 1:30 PM | Introductory Remarks | ||
| 1:35 PM | 112 | First principles investigation of the role of germanium as a driving force in the formation of zeolites containing double four membered rings Preeti Kamakoti, Barckholtz Timothy | |
| 2:05 PM | 113 | Atomic modeling of adhesion, adhesive transfer and friction at aluminum/carbon interfaces Yue Qi | |
| 2:35 PM | 114 | Pore network simulation of limestone during its calcination Chunbo Wang | |
| 2:55 PM | Intermission | ||
| 3:10 PM | 115 | Toward the elucidation and design of methanol electrooxidation catalysts from first principles Christopher D. Taylor, Michael Janik, Matthew Neurock | |
| 3:40 PM | 116 | Relative thermodynamic stability of polymorphs computed from first principles Max Petersen | |
| 4:10 PM | 117 | A computational approach to the joining of dissimilar alloys for high temperature heat exchangers Paul E. King, Rick D. Wilson, Jarrod Hatem, Omer N. Dogan | |
| 4:40 PM | 118 | Energetics of small molecule and water complexation in hydrophobic molecular containers immobilized on surfaces Justin M. Notestein, Enrique Iglesia, Alexander Katz | |
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Symposium Grid -- Division of Industrial & Engineering Chemistry -- Session Listing
The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006