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An experimental investigation was carried out to assess the removal efficiency of metal oxide nanoparticles from aqueous suspensions via sedimentation and the added benefit of membrane filtration. The study was conducted with aqueous suspensions of TiO2, ZnO, and CeO2 nanoparticles (NPs) of primary size of 10 nm–21 nm. The removal of NPs by gravitational settling was carried out with suspensions that were pretreated via pH adjustment and coagulant addition in order to increase the agglomerate size. Removal efficiencies were as high as 72.3–98.6% for the studied NPs with subsequent ultrafiltration of the remaining suspensions (post sedimentation) enabling essentially complete NP removal.

A constant-number direct simulation Monte Carlo (DSMC) model was developed for the analysis of nanoparticle (NP) agglomeration in aqueous suspensions. The modeling approach, based on the "particles in a box" simulation method, considered both particle agglomeration and gravitational settling. Particle-particle agglomeration probability was determined based on the classical Derjaguin-Landau-Verwey-Overbeek (DLVO) theory and considerations of the collision frequency as impacted by Brownian motion. Model predictions were in reasonable agreement with respect to the particle size distribution and average agglomerate size when compared with dynamic light scattering (DLS) measurements for aqueous TiO(2), CeO(2), and C(60) nanoparticle suspensions over a wide range of pH (3-10) and ionic strength (0.01-156 mM). Simulations also demonstrated, in quantitative agreement with DLS measurements, that nanoparticle agglomerate size increased both with ionic strength and as the solution pH approached the isoelectric point (IEP). The present work suggests that the DSMC modeling approach, along with future use of an extended DLVO theory, has the potential for becoming a practical environmental analysis tool for predicting the agglomeration behavior of aqueous nanoparticle suspensions.

The effect of hydration repulsion on the agglomeration of nanoparticles in aqueous suspensions was investigated via the description of agglomeration by the Smoluchowski coagulation equation using constant number Monte?Carlo simulation making use of the classical DLVO theory extended to include the hydration repulsion energy. Evaluation of experimental DLS measurements for TiO2, CeO2, SiO2, and ?-Fe2O3 (hematite) at high IS (up to 900 mM) or low |?-potential| (?1.35 mV) demonstrated that hydration repulsion energy can be above electrostatic repulsion energy such that the increased overall repulsion energy can significantly lower the agglomerate diameter relative to the classical DLVO prediction. While the classical DLVO theory, which is reasonably applicable for agglomeration of NPs of high |?-potential| (?>35 mV) in suspensions of low IS (?