Probing atomic-scale processes at the ferrihydrite-water interface with reactive molecular dynamics.

Interfacial processes involving metal (oxyhydr)oxide phases are important for the mobility and bioavailability of nutrients and contaminants in soils, sediments, and water. Consequently, these processes influence ecosystem health and functioning, and have shaped the biological and environmental co-evolution of Earth over geologic time. Here we employ reactive molecular dynamics simulations, supported by synchrotron X-ray spectroscopy to study the molecular-scale interfacial processes that influence surface complexation in ferrihydrite-water systems containing aqueous .

Uranium Speciation and Mobilization in Thawing Permafrost.

Uranium is a toxic and pervasive geogenic contaminant often associated with organic matter. Its abundance and speciation in organic-rich permafrost soils are unknown, thereby limiting our ability to assess risks associated with uranium mobilization during permafrost thaw. In this study, we assessed uranium speciation in permafrost soil and porewater liberated during thaw using active-layer and permafrost samples from a study area in Yukon, Canada where elevated uranium concentrations occur in bedrock and groundwater.

Arsenic mineral and compound data as analyzed by X-ray absorption spectroscopy and X-ray diffraction.

Here, we present As K-edge X-ray absorption spectroscopy (XAS) data for 28 arsenic minerals and compounds. These minerals and compounds were obtained from mineral dealers, museum collections, and chemical suppliers, and were positively identified by synchrotron-based powder X-ray diffraction (XRD). All samples were analyzed for both XRD and XAS at the Canadian Light Source synchrotron (Saskatoon, Canada).

Arsenic and antimony geochemistry of historical roaster waste from the Giant Mine, Yellowknife, Canada.

Historical mining and mineral processing at the former Giant Mine (Yellowknife, NT, Canada) created an enduring legacy of arsenic (As) and antimony (Sb) contamination. Approximately 237,000 tonnes of arsenic trioxide roaster waste (ATRW) generated between 1948 and 1999 remains stored on-site in underground chambers. We studied the chemical forms and phase associations of As and Sb to improve understanding of ATRW environmental behavior.

X-ray absorption spectroscopy and X-ray diffraction data for molybdenum minerals and compounds.

We report Mo K- and L-edge X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) data collected for 15 molybdenum minerals and compounds sourced from museum collections, mineral dealers, and chemical suppliers. The samples were finely ground and analyzed at the Canadian Light Source synchrotron (Saskatoon, Canada). The L-edge XAS data were collected in fluorescence and total electron yield mode, while the K-edge XAS data were collected in transmission and fluorescence modes.

Phosphate loading alters schwertmannite transformation rates and pathways during microbial reduction.

Acid sulfate systems commonly contain the metastable ferric oxyhydroxysulfate mineral schwertmannite, as well as phosphate (PO) - a nutrient that causes eutrophication when present in excess. However, acid sulfate systems often experience reducing conditions that destabilize schwertmannite. Under such conditions, the long-term fate of both schwertmannite and PO may be influenced by interactions during microbially-mediated Fe(III) and SO reduction.

Phosphate-Imposed Constraints on Schwertmannite Stability under Reducing Conditions.

Schwertmannite is a ferric oxyhydroxysulfate mineral, which is common in acid sulfate systems. Such systems contain varying concentrations of phosphate (PO)-an essential nutrient whose availability may be coupled to schwertmannite formation and fate. This study examines the effect of phosphate on schwertmannite stability under reducing conditions.

Aluminum sulfate (alum) application interactions with coupled metal and nutrient cycling in a hypereutrophic lake ecosystem.

Many lake ecosystems worldwide experience severe eutrophication and associated harmful blooms of cyanobacteria due to high loadings of phosphorus (P). While aluminum sulfate (alum) has been used for decades as chemical treatment of eutrophic waters, the ecological effects of alum on coupled metal and nutrient cycling are not well known. The objective of our study was to investigate the effects of an in-situ alum treatment on aluminum and nutrient (P, N, and S) cycling in a hypereutrophic lake ecosystem.