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Parameterizing water quality analysis and simulation program (WASP) for carbon-based nanomaterials
Citation:
Bouchard, D., X. Chang, Chris Knightes, AND I. Chowdhury. Parameterizing water quality analysis and simulation program (WASP) for carbon-based nanomaterials. Presented at ACS Fall Meeting, San Francisco, CA, August 04 - 08, 2014.
Impact/Purpose:
Presented at the ACS Fall Meeting in August 2014.
Description:
Carbon nanotubes (CNT) and graphenes are among the most popular carbon-based nanomaterials due to their unique electronic, mechanic and structural properties. Exposure modeling of these nanomaterials in the aquatic environment is necessary to predict the fate of these materials. The Water Qualilty Analysis and Simulation Program (WASP) is a surface water model used to estimate water quality responses to pollution. In this study, WASP has been parameterized for a suite of carbon-based nanomaterials including multiwalled carbon nanotubes (MWCNTs), derivatized MWCNTs (OH-MWCNT), and graphene oxide. WASP has been parameterized using data from quartz crystal microbalance and batch sorption studies using natural porous media. WASP simulation results for MWCNT and OH-MWCNT transport in the Savannah River basin (Brier Creek) indicate that simulated concentrations are closely grouped, but the differences are a function of the different nanomaterials' aqueous-surface distribution coefficients, which vary as a function of system ionic strength. Future research directions include expanding the nanomaterials parameter database for WASP and developing algorithms for carbon-based nanomaterials' transformations in surface freshwater bodies.
