Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C₆₀ fullerene using Nano-QSPR.

ABSTRACT: Many technological implementations in the field of nanotechnology have involved carbon nanomaterials, including fullerenes such as the buckminsterfullerene, C₆₀. The unprecedented properties of such organic nanomaterials (in particular their large surface area) gained extensive attention for their potential use as organic pollutant sorbents. Sorption interactions can be very hazardous and useful at the same time. This work investigates the influence of halogenation by bromine and/or chlorine in dibenzo-p-dioxins on their sorption ability on the C₆₀ fullerene surface. Halogenated dibenzo-p-dioxins (PXDDs, where X = Br or Cl) are ever-present in the environment and accidently produced in many technological processes in only approximately known quantities.

SUBMITTER: Urbaszek P 

PROVIDER: S-EPMC5389196 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature