Matthew Wander

From molecules to nanoparticles, site specific reactivity from poly-aluminum oxyhydroxide clusters

Lead Institution

Corning, Inc.

Principal Investigator

James Rustad

Project type

Exploratory Research

Aqueous aluminum chemistry is rich in polymeric species that possess properties that mimic mineral nanoparticles. The purpose of this project is to calculate the pKa constants for a set of aluminum…

New theoretical developments and computational studies of complex processes in environmental chemistry, waste containment, and biochemistry

Lead Institution

University of Arizona

Principal Investigator

L. Corrales

Project type

Capability Research

The proposed project brings together projects from different fields that share common theoretical and computational challenges. The grand challenge of the project is represented by (1) the scale of…

Theoretical Treatment of the Kinetics of Uranium Reduction by Magnetite Surfaces

Lead Institution

State University of New York at Stony Brook

Principal Investigator

Martin Schoonen

Project type

Capability Research

Uranium redox chemistry plays an important role in determining its mobility and therefore its environmental impact. Previous experimental studies of abiotic Uranium reaction have shown that…

The Reduction of Uranyl and Chromate to Insoluble Species by Green Rust and Other Ferrous Hydroxides Surfaces

Lead Institution

State University of New York at Stony Brook

Principal Investigator

Martin Schoonen

Project type

Exploratory Research

Electron transfer reactions play an important role in the determination of the fate of many environmental contaminants. Of particular importance are the transitions from high-oxidation states (+5/+6)…

The Reduction of Uranyl and Chromate to Insoluble Species by Green Rust and Other Ferrous Hydroxides Surfaces

Lead Institution

State University of New York at Stony Brook

Principal Investigator

Martin Schoonen

Project type

Large-Scale EMSL Research

Electron transfer reactions play an important role in determining of the fate of many environmental contaminants. Reduction from high-oxidation states (+5/+6), where the metal is stabilized in…

Thrust Area #2: Molecular modeling of electron transfer in Fe(III) oxides

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Kevin Rosso

Project type

Grand Challenge

Molecular modeling and simulation studies in combination with electron transfer theory calculations will be carried out to characterize the cytochrome mediated electron transfer process across the…

Molecular Computational Studies In Geochemistry and Environmental Chemistry

Lead Institution

Corning, Inc.

Principal Investigator

James Rustad

Project type

Capability Research

This project is focused on prediction of reaction rates, mechanisms, and associated isotopic fractionation factors of key processes in low-temperature geochemistry. Such processes can play a key role…

The Reduction of Uranyl and Chromate to Insoluble species by Green Rust and other ferrous hydroxide surfaces.

Lead Institution

Corning, Inc.

Principal Investigator

James Rustad

Project type

Exploratory Research

Electron transfer reactions play an important role in determining the fate of many environmental contaminants. Reduction from high-oxidation state (+5/+6), where the metal is stabilized in solution…

Projects