Multiscale modeling of surfactant phase behavior in the remediation of DNAPL contamination Public Deposited

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  • March 21, 2019
  • Fan, Xiangyu
    • Affiliation: Gillings School of Global Public Health, Department of Environmental Sciences and Engineering
  • The brine barrier remediation technique (BBRT) has been proposed as a novel Brine barrier remediation techniques (BBRT) that use surfactants have been proposed for remediating subsurface environments contaminated by dense non-aqueous phase liquids (DNAPLs). Their successful implementation requires an understanding of surfactant phase behavior including surfactant accumulation at the water/DNAPL interface and surfactant precipitation due to the presence of high aqueous-phase concentrations of brine. Multiscale modeling based upon thermodynamics and molecular dynamics (MD) was performed to investigate surfactant precipitation and molecular details at the surfactant-modified water/DNAPL interface. While these modeling results advance the understanding of surfactant behavior, a few open issues must be addressed before these new methods can be considered reliable and mature.
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  • Miller, Cass T.
  • Open access

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