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Projects

As a scientific user facility, the Environmental Molecular Sciences Laboratory (EMSL) provides expertise, instrumentation, and resources to 250 projects each year. 

EMSL projects displayed on the EMSL web site project page reflect project abstracts and information migrated to this page before April 30, 2024. To review current and past EMSL user projects, visit EMSL Science Central.™ 

 

  • Projects beginning at or after given date.
    Projects ending at or before given date.

Imaging Of Water and Gas Distribution in PEM Fuel Cell Stacks and Cells

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Kevin Minard
Project type
Large-Scale EMSL Research
The overall objective of this project is to develop three-dimensional magnetic resonance imaging (MRI) for in-situ, real-time monitoring of polymer electrolyte membrane (PEM) fuel cell…

Benchmark modeling of aerosol-cloud interactions

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Konstantin Ovchinnikov
Project type
Large-Scale EMSL Research
This proposal requests computing resources from the Molecular Science Computation Facilities (MSCF) to support two projects of the PNNL Aerosol-Climate Initiative: "Benchmark Modeling of the…

Terrestrial Carbon Sequestration Studies

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
James Amonette
Project type
Large-Scale EMSL Research
One of the approaches to minimizing the possible effects of climate change stemming from the recent increases in atmospheric CO2 levels involves storing C as biomass in terrestrial ecosystems. Of…

Studies on 1,2,3-trichloropropane (TCP) and its derivatives

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 …

43Ca NMR Spectroscopy of Ca2+ Dependent Proteins and models

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Paul Ellis
Project type
Large-Scale EMSL Research
We are exploring the application and utility of low temperature solid-state NMR methods to the observation of 43Ca in Ca2+ dependent proteins. Our first application is to the protein calbindin D9k …

Advances in Understanding Electron Transfer Kinetics at Environmental Interfaces

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Kevin Rosso
Project type
Large-Scale EMSL Research
This EMSL user proposal requests a continuation of EMSL access for a BER funded Environmental Molecular Sciences Institute (EMSI) project led by Dr. Rosso at PNNL. This project constitutes the PNNL…

Development of Time-Dependent Quantum Reaction Dynamics for Surface Reactions

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Bylaska
Project type
Large-Scale EMSL Research
We propose to develop multi-dimensional, state-of-the-art time-dependent quantum dynamics (TDQD) computational methods for catalytic surface reactions. Our aim is to obtain accurate initial-state…

Development of 1st principles dynamics with exact exchange and spin-orbit ZORA

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Bylaska
Project type
Large-Scale EMSL Research
1st principles methods of dynamical simulation will be developed that can treat the complex chemistry of actinide elements. In developing new solvers, emphasis will be placed on methods that will…

On Improving Current Colloid Filtration Theory Models

Lead Institution
University of California, Davis
Principal Investigator
Timothy Ginn
Project type
Large-Scale EMSL Research
This project uses trajectory simulations of colloidal particles in saturated porous media to obtain theoretical predictions of particle transport and deposition. The trajectory simulations provide a…

Laboratory Spectroscopy of CO2 for Earth Observations

Lead Institution
NASA Langley Research Center
Principal Investigator
Mary Smith
Project type
Exploratory Research
For several instruments on the AURA and AQUA satellites, retrievals of atmospheric temperature profiles are based on observed radiances in infrared spectral regions where emission from atmospheric…

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…