Paul Tratnyek

Reaction Specificity of Nanoparticles in Solution (PNNL Scope # 42184/44076)

Lead Institution

University of Minnesota

Principal Investigator

R. Penn

Project type

Exploratory Research

This User Proposal is being submitted as part of an approved NSET proposal under PIs Don Baer and Paul Tratnyek to perform fundamental basic science studies that will benefit a whole range of…

Reaction Specificity of Nanoparticles in Solution (PNNL Scope # 42184/44076, Baer/Amonette Nano-Fe BES/EMSP project)

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Donald Baer

Project type

Exploratory Research

This User Proposal is being submitted as part of an approved NSET proposal under PIs Don Baer and Paul Tratnyek to perform fundamental basic science studies that will benefit a whole range of…

Experimental and Theoretical Studies of Reaction Pathways for the Breakdown of Chlorinated Hydrocarbon Molecules by Metal and Metal Oxide Nanoparticles(including PNNL Scope # 42184/44076, Baer/Amonette/Tratnyek Nano-Fe BES/EMSP project)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James Amonette

Project type

Large-Scale EMSL Research

Metal and metal-oxide nanoparticles have been shown to have high reactivity towards a variety of chemical species, including chlorinated hydrocarbons and reducible oxyanions that frequently…

The Reaction Specificity of Nanoparticles in Solution: Interactions between Iron Nanoparticles, their Coatings, and the Environment

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Donald Baer

Project type

Large-Scale EMSL Research

The objective of our research is to obtain fundamental information about the physical and chemical transformations that occur on and within mineral oxide nanoparticulates due to electron transfer…

Characterization of Iron Sulfide Mineral Phases Associated with the Reductive Sequestration of Technetium

Lead Institution

Oregon Health & Science University

Principal Investigator

Paul Tratnyek

Project type

Large-Scale EMSL Research

Under reducing conditions, TcO4- is readily reduced to TcIV, which forms highly insoluble oxides such as TcO2-nH2O, but (re)oxidation of TcIV oxides can lead to remobilization. Under sulfidogenic…

(gc3563)Molecular Computational Studies In Environmental Chemistry, Geochemistry, and Biogeochemistry

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Eric Bylaska

Project type

Capability Research

Addressing the overwhelming environmental cleanup problems facing the Department of Energy?s nuclear production sites as well as other polluted sites in the nation is hampered by a lack of knowledge…

Fully In Silico Calibration Of Empirical Predictive Models For Environmental Fate Properties Of Novel Munitions Compounds

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Kurt Glaesemann

Project type

Large-Scale EMSL Research

Predicting chemical properties is a long-standing challenge that has received extensive study for many applications (chemical engineering, green chemistry, environmental chemistry, toxicology,…

Carbon Tetrachloride Degradation Reaction Mechanisms (Amonette/Bylaska EMSP-CCl4, PNNL Scope #44012)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James Amonette

Project type

Exploratory Research

Characterize the mechanisms and kinetics of competing degradation reactions of carbon tetrachloride (CCl4) through laboratory experiments in simple model systems closely coordinated with theoretical…

Simulations of Complex Chemistry at Mineral/Fluid Interfaces: Development and application of Petascale/Exaflop First Principle Simulation Technology

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Eric Bylaska

Novel first principle methods of simulations will be developed and applied to computationally intractable geochemical problems such as: i) Interpretations of structure, reactivity and electron…

Development of Novel First Principles Simulations for Reactions at Complex Geochemical Interfaces

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Eric Bylaska

The proposed development work in this theoretical cross-cutting staff proposal include: (1) Development of new algorithms supporting high-level electron structure calculation of reaction mechanisms…

Surface Characterization of Granular Iron from Cores of an In Situ Permeable Reactive Barrier

Lead Institution

Oregon Health & Science University

Principal Investigator

Paul Tratnyek

Project type

Exploratory Research

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Eric Bylaska

Project type

Large-Scale EMSL Research

The widespread use of 1,2,3-trichloropropane (1,2,3-TCP) as solvents in paint and varnish removal, cleaning and degreasing, etc. has resulted in it becoming an emerging pollutant in the environment …

Projects