Simplifying modeling of nanoparticle aggregation-sedimentation behavior in environmental systems: A theoretical analysis

J.T.K. Quik, D. van de Meent, A.A. Koelmans

Research output: Contribution to journalArticleAcademicpeer-review

54 Citations (Scopus)

Abstract

Parameters and simplified model approaches for describing the fate of engineered nanoparticles (ENPs) are crucial to advance the risk assessment of these materials. Sedimentation behavior of ENPs in natural waters has been shown to follow apparent first order behavior, a ‘black box’ phenomenon that is insufficiently understood and therefore of limited applicability. Here we use a detailed Smoluchowski-Stokes model that accounts for homo- and heteroaggregation and sedimentation of ENPs and natural colloids (NCs), to simulate and interpret experimental ENP aggregation-sedimentation data. The model adequately simulated the observed time and initial concentration dependence of CeO2 settling data, and also predicted the conditions for aggregation rate-limitations of overall removal. Heteroaggregation with natural colloids was identified as the dominating removal process. Finally, the empirical apparent first order model data were calibrated against the mechanistic Smoluchowski-Stokes model simulation data, showing excellent fits for a range of NC initial concentrations. Using first order removal rates thus can be considered a valid and informed approximation when modeling ENP fate in the aquatic environment
Original languageEnglish
Pages (from-to)193-201
JournalWater Research
Volume62
DOIs
Publication statusPublished - 2014

Keywords

  • sedimentation
  • aggregates
  • water quality
  • models
  • engineered nanoparticles
  • carbon nanotubes
  • nanomaterials
  • exposure
  • heteroaggregation
  • coagulation
  • challenges
  • scenarios
  • kinetics
  • release

Fingerprint Dive into the research topics of 'Simplifying modeling of nanoparticle aggregation-sedimentation behavior in environmental systems: A theoretical analysis'. Together they form a unique fingerprint.

Cite this