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Seminar: Kalil BERNARDINO
Nanoparticles' colloidal stability in ionic liquids – A molecular dynamics simulation study
| When |
May 26, 2026 à 10:30 AM |
|---|---|
| Where |
Salle Collet |
| Contact |
Josene TOLDO |
Ionic liquids have attracted considerable attention as solvents for nanomaterials synthesis due to their unique physical properties like essentially null vapor pressure, great thermal stability, high microwave absorption, and the capacity to stabilize nanoparticles (NPs) dispersions without the need of additives. To understand how the molecular structure of the ionic liquids affects NP aggregation, molecular dynamics simulations with a coarse-grained force field were employed to obtain the potential of mean force (PMF) for the aggregation of a pair of NPs and to observe spontaneous aggregation in concentrated dispersions. Ionic liquids with significant amphiphilic character provide kinetic stability to dispersions and induce long-range ordering between neutral NPs due to the formation of alternating polar and apolar shells around the NPs, an effect that is absent in liquids without a large alkyl group. Regarding charged NPs, an asymmetric response was noticed between negative and positive NPs due to differences in ion adsorption.