CHED 1362 |
| Sarin is a highly volatile and deadly nerve agent that has been declared illegal under both the Geneva Conventions and the Chemical Weapons Convention. It poses a continuing threat due to aging stockpiles and its use by terrorist organizations in recent years. Currently there is neither a cost effective nor efficient method of disposal for this chemical warfare agent. Despite its high volatility, sarin has the ability to remain on a surface making any release of the chemical a lasting danger. The adsorption and interaction of sarin on the surface of α-alumina (Al2O3) will be studied using Møller-Plesset Perturbation Theory (MP2) and Density Functional Theory (DFT). From the interaction data obtained, it will be possible to determine the binding energy and geometry of sarin on α-alumina as well as possible decomposition pathways. This knowledge will be useful in developing sensors and coatings used for the detection and destruction of sarin. |
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Undergraduate Research Poster Session: Physical Chemistry
2:00 PM-4:00 PM, Monday, March 26, 2007 Hyatt Regency Chicago -- Riverside Center, Poster
Division of Chemical Education |