Odeta Qafoku | Environmental Molecular Sciences Laboratory

Exploratory Analysis of Glycine Peptide Sorption on Ferrihydrite using Calorimetric Techniques and Molecular Dynamics Simulations

Lead Institution

Texas Christian University

Principal Investigator

Omar Harvey

Project type

Exploratory Research

Ferrihydrite-organic matter associations are ubiquitous in the environment and can control the kinetics and favorability of biogeochemical processes. However, the dynamics and energetics of organic…

SoilTwin – A digital twin for efficient and accurate upscaling of soil data to PFLOTRAN

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Maruti K. Mudunuru

Our project aims to develop a simple digital twin, “SoilTwin,” for efficient and accurate upscaling of soil data to PFLOTRAN. Soil data collected by EMSL include X-ray computed tomography (XCT),…

AI-enabled processing of multimodal data to expand 2D chemical information to 3D space

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Maruti K. Mudunuru

This project will develop a user-friendly workflow to process EMSL’s multi-modal data using AI segmentation algorithms in Fiji software (already available on EMSL OnDemand). This multi-modal data…

Role of Microenvironments and Transition Zones in Subsurface Reactive Contaminant Transport

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James McKinley

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL. The research proposed will resolve critical Hanford and basic subsurface science…

Influence of soil porous microstructure on the distribution and transport of SOM

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Tamas Varga

There is a need to better understand the relationship between soil pore structure and the fate and transport of soil organic matter (SOM) to improve process-based predictions of OM accessibility…

The Role of Interfacial Water on Mineral Transformations in Wet Supercritical CO2

Lead Institution

Washington State University

Principal Investigator

Andrew Felmy

Project type

Large-Scale EMSL Research

We propose a comprehensive experimental and theoretical investigation of the molecular mechanisms governing the role of interfacial water in the reactivity of mineral phases in supercritical carbon…

Building an automation-ready multimodal workflow for comprehensive 3D characterization of intact soil structures.

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Odeta Qafoku

3-dimensional (3D) characterization of intact soil structures (i.e. macro and microaggregates) will provide understandings on how soil physical, mineralogical, biotic heterogeneities control long…

Novel Nanoporous Getters to Immobilize 99Tc at the Yucca Mnt (Mattigod/Felmy/Rosso, Yucka Mtn, PNNL Scope #45873)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Herman Cho

Project type

Exploratory Research

Paul did some SEM w/ Brad Avery. Odeta needs ICP-MS. Kevin Rosso: Structures of two layered Zr/Ti&#61485;phosphate type materials will be examined in detail. The first phase is of…

Role of Microenvironments and Transition Zones in Subsurface Reactive Contaminant Transport

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James McKinley

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL. The research proposed will resolve critical Hanford and basic subsurface science…

Determination of Hydrolysis Rate for CCl4 under ambient groundwater conditions. (PNNL Scope #46431, Amonette's Fluor Hanford)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James Amonette

Project type

Exploratory Research

We propose work that will provide critical data needed to determine the natural rate of hydrolysis for CCl4 (CT) in the groundwater at the Hanford Site. The experimental design includes a number of…

Molecular-scale controls on heteroepitaxy at mineral-water interfaces

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Sebastien Kerisit

Project type

Large-Scale EMSL Research

The objective of the proposed research is to elucidate and quantify the molecular-scale mechanisms of heteroepitaxial nucleation and growth at mineral-water interfaces. Despite several examples of…

Development of Microscopically-Based Models for Prediction of the Impact of Surface Grain Coating on Mineral Dissolution and Leaching Rates

Lead Institution

Washington State University

Principal Investigator

Andrew Felmy

Project type

Large-Scale EMSL Research

Over the past two decades, molecular level information on the composition, structure, and nature of impurities in naturally occurring mineral phases and anthropogenic subsurface materials has become…

Hydro-Biogeochemical Process Dynamics in the Groundwater-Surface Water Interaction Zone

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

John Zachara

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL.PNNL Scientific Focus Area. The PNNL SFA will develop a predictive understanding…

fixation mechanisms and desorption rates of sorbed Cs in high level waste contaminated subsurface sediments: implications to future behaviour and in-ground stability

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Calvin Ainsworth

Project type

Exploratory Research

Study behaviour of sediments under high alkaline conditions. Measure the supernatants of soil-solutions for different cations using FAA, ICP or UV spec.

Mineral Reactivity and Transformations in Adsorbed Water Films

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

John Loring

Project type

Large-Scale EMSL Research

Transformations of minerals covered in thin films of adsorbed H2O are ubiquitous in nature and occur under unique chemical and physical constraints. But in contrast to bulk aqueous systems,…

Linking Microscopic to Macroscopic Adsorption/Desorption Behavior for Uranium on Environmental Materials

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Kevin Rosso

Project type

Large-Scale EMSL Research

This Science Theme proposal requests EMSL access for a subtask on an existing funded project at PNNL. The task is focused on determination of molecular-scale adsorption, desorption, and…

Hydro-Biogeochemical Process Dynamics in the Groundwater-Surface Water Interaction Zone

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

John Zachara

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL.PNNL Scientific Focus Area. The PNNL SFA will develop a predictive understanding…

Role of Microenvironments and Transition Zones in Subsurface Reactive Contaminant Transport

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James McKinley

Project type

Exploratory Research

The PNNL Scientific Focus Area (SFA) will resolve critical Hanford and basic subsurface science issues through integrated, multi-disciplinary, science-theme focused research on the role of…

300 Area Post-Treatment Uranium Solubility

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Zheming Wang

The objective of this study is to investigate the mobility of uranium after reaction of contaminated sediments with phosphate solutions injected at the 300 Area. Boreholes samples that were collected…

Interaction of Solution-state Silicates with Trivalent Cations (PNNL Scope #30944)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Herman Cho

Project type

Capability Research

This project will involve the measurement of Si-29 spectra of high base solutions containing Si-29-enriched silicates and lanthanum oxide. Silicates form a diverse array of structures in aqueous…

Mechanisms of Fe(II)-Catalyzed Transformation of Fe(III)-(Oxyhydr)oxides

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Kevin Rosso

Project type

Large-Scale EMSL Research

Interaction of aqueous Fe(II) with major Fe(III)-oxides and oxyhydroxides yields the enigmatic catalytically reactive "sorbed Fe(II)" species and apparent facile recrystallization of even…

The Aqueous Thermodynamics and Complexation Reactions of Anionic Silica and Uranium Species to High Concentration. (Felmy ESMP-silicate, PNNL Scope #30944)

Lead Institution

Washington State University

Principal Investigator

Andrew Felmy

Project type

Exploratory Research

Highly basic tank wastes contain several important radionuclides, including 90Sr, 99Tc, and 60Co, as well as actinide elements (i.e., isotopes of U, Pu, and Am). These highly basic tank wastes are …

Can Mineral Growth by Oriented Attachment Lead to Incorporation of Uranium into the Structure of Fe(oxyhydr)oxides?

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Eugene Ilton

Project type

Large-Scale EMSL Research

Previous laboratory work has shown that uranium can be incorporated into the structure of hematite and goethite during co-precipitation and redox transformation of ferrihydrite, respectively. However…

The Impact of Vapor Phase Species on the Corrosion Potential of Hanford Double Shell Tanks.

Lead Institution

Washington State University

Principal Investigator

Andrew Felmy

Project type

Exploratory Research

The goal of the proposed project is to develop a sound technical basis for control of corrosion in the vapor space and the liquid/air interface (VS/LAI) in the Hanford Double Shell Tanks. …

Growth of and contaminant incorporation in complex carbonate coatings at mineral/water interfaces

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Sebastien Kerisit

Project type

Large-Scale EMSL Research

All realistic mineral surfaces in natural waters can be expected to be coated, and their reactive properties influenced by the presence of coatings. It is a common but challenging interfacial process…

The Role of Interfacial Processes on Mineral Transformations in Wet Supercritical CO2

Lead Institution

Washington State University

Principal Investigator

Andrew Felmy

Project type

Large-Scale EMSL Research

We propose a comprehensive experimental and theoretical investigation of the role of interfacial water and CO2 on the energies, mechanisms, and rates of reactivity of a series of orthosilicate and…

Betavoltaics from COTS: Power for Years

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Lance Hubbard

Overwhelmingly, betavoltaics’ (BV) long-lasting power opens a broad range of applications which are not currently available. The birth of very low power electronics has opened up a market for the…

Role of Microenvironments and Transition Zones in Field scale microbial ecology and biogeochemistry

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James McKinley

Project type

Exploratory Research

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL. The research proposed will resolve critical Hanford and basic subsurface science…

Unraveling Redox Transformation Mechanisms of Ferrihydrite and Micronutrient Metal Incorporation at the Molecular Scale

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Kevin Rosso

Project type

Large-Scale EMSL Research

Understanding aquatic chemistry, the natural cycling and fractionation of elements, and energy flow in soils almost always involves, by necessity, attention to the governing influence of electron…

Role of Microenvironments and Transition Zones in Field Scale Microbial Ecology and Biogeochemistry

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James McKinley

Project type

Limited Scope

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL. The research proposed will resolve critical Hanford and basic subsurface science…

Software Development for High-Resolution Mass Spectrometry Analysis of Small Molecules: Enabling High-Throughput, Reproducible Data Processing and Annotation.

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Yuri Eberlim de Corilo

Modern high-resolution mass spectrometry has dramatically increased the volume (distinct analytical techniques and polarity modes) and quality (higher resolving power, dynamic range, mass error…

Chemical Speciation of Americium, Curium, and Selected Tetravalent Actinides in High Level Waste (Felmy EMSP-tank, PNNL Scope #26753)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Herman Cho

Project type

Exploratory Research

Develop fundamental data on chemical speciation and solubility for Americium, Curium, and Selected Tetravalent Actinides in High Level Waste Work authorization text added 08/11/05: The objective…

Mineralogy exerts control on organic molecules zonal structuring and reordering

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Odeta Qafoku

Organic C preservation in soil environments is predominantly driven by organic matter: soil mineral interactions. Yet, mechanistic uncertainties remain, namely how spatial variation in mineralogy…

The Role of Microenvironments and Physicochemical Subsurface Components on Field Scale Biogeochemistry and Contaminant Mobility

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James McKinley

Project type

Exploratory Research

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL. The research proposed will resolve critical Hanford and basic subsurface science…

Soil-like habitats for spatial analysis of microbe-mineral interactions

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Arunima Bhattacharjee

The objective of this study is to develop mineral microfluidics compatible with a suite of optical and chemical imaging capabilities at EMSL, as well as SSRL, for probing microbially relevant…

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