Center for Environmental Molecular Science-Graduate Student | |
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Matthew Wander Geosciences Department, Stony Brook University Advisor: Dr. Martin Schoonen, (Informal Advisor: James Kubicki) Minerals play an often quintessential role in enabling redox reactions that would not otherwise occur in solution. While the subject of numerous kinetic studies the use of theoretical techniques is relatively unexplored. Specifically we will look at ferrous iron reduction of N2 and Chlorinated hydrocarbons using abinitio techniques and Marcus theory to understand the role of mineral catalysis, specifically Goethite (FeOOH), in mechanism alteration, product stabilization, concentration enhancement and the alteration of overall reaction energetics. Critical to understanding this problem is understanding the role of solvent at Mineral-Water and Solute-water interfaces. |