Geochemical Equilibria and Reaction Dynamics: Atomic- to Pore-Scale Processes

Project: Research project

Project Details

Description

Prof. Geiger and his research associates will adapt second
harmonic generation (SHG) and vibrational sum frequency
generation (SFG) investigate how the point of zero charge of
quartz surfaces depends on the concentration and type of
electrolyte used. They will also study the various surfaces of
à192Ñ-quartz single crystals in contact with aqueous electrolyte
solutions involving various ionic strengths (e.g. 0.1 microM to
0.5 M), pH values (e.g. 2 to 12), and metal cation (e.g. Ba2+
and Sr2+) concentrations. They will determine the differences in
the electrostatic, thermodynamic, and structural parameters that
distinguish fused silica surfaces from single crystal quartz
surfaces, which are the targets for the related computational
effort within the ORNL project ¡§Geochemical Equilibria and
Reaction Dynamics (ERKCC72, Wesolowski, PI). Once this
capability is implemented and tested for neat water/quartz
interfaces, it will be used to explore the effects of solutes on
interfacial species and the changes in the hydrogen bonding they
produce.
StatusFinished
Effective start/end date8/30/139/30/16

Funding

  • UT-Battelle, LLC, Oak Ridge National Laboratory (4000125713/DE-AC05-00OR22725)
  • Department of Energy (4000125713/DE-AC05-00OR22725)

Fingerprint Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.