18th Annual Student Research Conference
Science
Computational Chemical Studies of the Hydrolysis of VX
Kelly A. Daniel
Dr. Eric V. Patterson, Faculty Mentor
O-ethyl S-(2-diisopropylamino)ethyl methylphosphonothioate, VX nerve agent, is a nonvolatile liquid that is unusually persistent in the environment. Unlike most nerve agents, VX is not only deadly through inhalation but also through contact with the skin. Hydrolysis in alkaline solution can be used to partially neutralize VX, but one product from this reaction is still a neurotoxin. The mechanism of this reaction is not fully understood. Using computational chemistry, we have been studying the potential energy surface to better understand the mechanisms of the detoxification of VX.
Keywords: VX, Nerve Agent, Hydrolysis, neurotoxin, computational chem, mechanisms
Topic(s):Chemistry
Presentation Type: Oral Paper
Session: 54-5
Location: VH 1010
Time: 4:45