Dataset Information

Dispersion and Aggregation Fate of Individual and Co-Existing Metal Nanoparticles under Environmental Aqueous Suspension Conditions.

ABSTRACT: The use of diverse metal nanoparticles (MNPs) in a wide range of commercial products has led to their co-existence in the aqueous environment. The current study explores the dispersion and aggregation fate of five prominent MNPs (silver, copper, iron, nickel, and titanium), in both their individual and co-existing forms. We address a knowledge gap regarding their environmental fate under turbulent condition akin to flowing rivers. We present tandem analytical techniques based on dynamic light scattering, ultraviolet-visible spectroscopy, and inductively coupled plasma atomic emission spectroscopy for discerning their dispersion behavior under residence times of turbulence, ranging from 0.25 to 4 h. The MNPs displayed a multimodal trend for dispersion and aggregation behavior with suspension time in aqueous samples. The extent of dispersion was variable and depended upon intrinsic properties of MNPs. However, the co-existing MNPs displayed a dominant hetero-aggregation effect, independent of the residence times. Further research with use of real-world environmental samples can provide additional insights on the effects of sample chemistry on MNPs fate.

SUBMITTER: Bathi JR

PROVIDER: S-EPMC9572943 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature

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Dispersion and Aggregation Fate of Individual and Co-Existing Metal Nanoparticles under Environmental Aqueous Suspension Conditions.

Bathi Jejal Reddy JR Roy Shuvashish S Tareq Syed S Potts Gretchen E GE Palchoudhury Soubantika S Sweck Samantha O SO Gadhamshetty Venkataramana V

Materials (Basel, Switzerland) 20220928 19

The use of diverse metal nanoparticles (MNPs) in a wide range of commercial products has led to their co-existence in the aqueous environment. The current study explores the dispersion and aggregation fate of five prominent MNPs (silver, copper, iron, nickel, and titanium), in both their individual and co-existing forms. We address a knowledge gap regarding their environmental fate under turbulent condition akin to flowing rivers. We present tandem analytical techniques based on dynamic light sc ...[more]

PMID: 36234074

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Project description:Controlling the structure of graphene oxide (GO) phases and their smaller analogues, graphene (oxide) quantum dots (GOQDs), is vitally important for any of their widespread intended applications: highly ordered arrangements of nanoparticles for thin-film or membrane applications of GO, dispersed nanoparticles for composite materials and three-dimensional porous arrangements for hydrogels. In aqueous environments, it is not only the chemical composition of the GO flakes that determines their morphologies; external factors such as pH and the coexisting cations also influence the structures formed. By using accurate models of GO that capture the heterogeneity of surface oxidation and very large-scale coarse-grained molecular dynamics that can simulate the behaviour of GO at realistic sizes of GOQDs, the driving forces that lead to the various morphologies in aqueous solution are resolved. We find the morphologies are determined by a complex interplay between electrostatic, [Formula: see text]-[Formula: see text] and hydrogen bonding interactions. Assembled morphologies can be controlled by changing the degree of oxidation and the pH. In acidic aqueous solution, the GO flakes vary from fully aggregated over graphitic domains to partial aggregation via hydrogen bonding between hydroxylated domains, leading to the formation of planar extended flakes at high oxidation ratios and stacks at low oxidation ratios. At high pH, where the edge carboxylic acid groups are deprotonated, electrostatic repulsion leads to more dispersion, but a variety of aggregation behaviour is surprisingly still observed: over graphitic regions, via hydrogen bonding and "face-edge" interactions. Calcium ions cause additional aggregation, with a greater number of "face-face" and "edge-edge" aggregation mechanisms, leading to irregular aggregated structures. "Face-face" aggregation mechanisms are enhanced by the GO flakes possessing distinct domains of hydroxylated and graphitic regions, with [Formula: see text]-[Formula: see text] and hydrogen bonding interactions prevalent between these regions on aggregated flakes respectively. These findings furnish explanations for the aggregation characteristics of GO and GOQDs, and provide computational methods to design directed synthesis routes for self-assembled and associated applications.

Dataset Information

Dispersion and Aggregation Fate of Individual and Co-Existing Metal Nanoparticles under Environmental Aqueous Suspension Conditions.

Publications

Dispersion and Aggregation Fate of Individual and Co-Existing Metal Nanoparticles under Environmental Aqueous Suspension Conditions.

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