The Aqueous Chemistry & Geochemistry Group at Oak Ridge National Laboratory are investigating fundamental and applied aspects of aqueous chemistry and geochemistry. The primary focus of this research is to reach a predictive level of understanding of fluid-mediated processes in complex natural and technological systems through unique capabilities for experiments to high temperatures and pressures, coupled with molecular-level and descriptive modeling of system properties and behavior. A current research focus in aqueous chemistry centers on coupling experimental results for structure (neutron scattering), chemistry (solvation and complexation reactions), and physical and thermodynamic properties in solutions with statistical-mechanical theory and simulation (molecular dynamics), to understand the molecular-level interactions that define system behavior over wide ranges of temperature, pressure, and solution composition. Results from these studies are applied in areas ranging from hazardous and radioactive waste mitigation to chemical issues in nuclear and fossil-fired power-plant steam generators. Geochemistry research focuses on fundamental properties of minerals and fluids, including fluid-solid interactions at temperatures and pressures ranging from soil/sediment/groundwater environments to ocean hydrothermal vents, petroleum and geothermal reservoirs energy resources, and potential sites for geological CO2 sequestration. Specialized techniques and expertise are applied to studies of the distribution of light stable isotopes between phases as measures of kinetic and thermodynamic earth processes, and to chemical equilibria, phase behavior and volumetric properties of gas mixtures for energy-production and carbon-sequestration applications. Close collaboration among physical chemists, geochemists and chemical engineers in the group has resulted in pioneering achievements in investigations of the solubility of materials and their solution phase speciation, the partitioning of elements and isotopes between phases, and the sorption of ions on solid surfaces in the hydrothermal regime. A suite of unique facilities, including high temperature densimeters, vapor pressure and volatility apparatus, calorimeters, pH measurement cells, hydrogen-service pressure systems, and isotope-ratio mass spectrometers are applied in these studies. These capabilities are augmented through extensive collaborations to provide access to additional specialized techniques for molecular-level studies of oxide/water interfaces, the properties of fluids under nanoscale confinement in porous and fractured media, and studies of carbon sequestration through clathrate formation and injection into subsurface reservoirs.

For more information, contact David Cole at (865) 574-5473.

CSD Organization - Research Groups