Adsorption on Ligand-Tethered Nanoparticles

Borówko, M.; Staszewski, T.

doi:10.3390/ijms22168810

Cited by 8 publications

(23 citation statements)

References 63 publications

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“…We studied particles with different segment–substrate interactions for which ε s * = 1, 2, 3, 4, 5, 6. Similar parameters were in the previous simulations of hairy particles. ,,, Calculations were carried out for different initial densities of the particles, ρ t 0 * = 0.01, 0.02, 0.03, 0.04, 0.05.…”

Section: Model and Simulation Methodologymentioning

confidence: 99%

“…Similar parameters were in the previous simulations of hairy particles. 31 , 35 , 43 , 49 Calculations were carried out for different initial densities of the particles, ρ t 0 * = 0.01, 0.02, 0.03, 0.04, 0.05.…”

Section: Model and Simulation Methodologymentioning

confidence: 99%

“… 45 Despite its practical importance, the adsorption of nanoparticles on solid surfaces has not been widely studied so far. Nanoparticles are generally investigated as the adsorbent 31 , 45 , 46 , 49 but not adsorbate. Hence, it is important to develop insight into the mechanism of adsorption of hairy nanoparticles at solid surfaces.…”

Section: Introductionmentioning

confidence: 99%

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Adsorption of Polymer-Tethered Particles on Solid Surfaces

2022

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We explore the behavior of polymer-tethered particles on solid surfaces using coarse-grained molecular dynamics simulations. Segment–segment, segment–core, and core–core interactions are assumed to be purely repulsive, while the segment–substrate interactions are attractive. We analyze changes in the internal structure of single hairy particles on the surfaces with the increasing strength of the segment–substrate interactions. For this purpose, we calculate the density profiles along the x , y , z axes and the mass dipole moments. The adsorbed hairy particles are found to be symmetrical in a plane parallel to the substrate but strongly asymmetric in the vertical direction. On stronger adsorbents, the particle canopies become flattened and the cores lie closer to the wall. We consider the adsorption of hairy nanoparticles dispersed in systems of different initial particle densities. We show how the strength of segment–substrate interactions affects the structure of the adsorbed phase, the particle–wall potential of the average force, the excess adsorption isotherms, and the real adsorption isotherms.

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Section: Model and Simulation Methodologymentioning

confidence: 99%

Section: Model and Simulation Methodologymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Adsorption of Polymer-Tethered Particles on Solid Surfaces

2022

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“…We considered several wall separations ranging from

. Similar values of the parameters were assumed in the previous simulations of polymer-tethered particles [ 21 , 22 , 28 , 29 , 35 ].…”

Section: Model and Simulation Methodologymentioning

confidence: 89%

“…Staszewski [ 20 ] simulated self-assembly of the ligands into “patches” on the core surface and how the type of ligands, their number, and the strength of interaction affect the particle morphology. Moreover, co-assembly of polymer-tethered particles and smaller isotropic particles was investigated [ 21 , 22 ]. In such mixtures, the adsorption of isotropic particles “on chains” causes the reconfiguration of the tethered chains on the core surface, leading to a change in the shape of the polymer segment cloud.…”

Section: Introductionmentioning

confidence: 99%

Shape Transformations and Self-Assembly of Hairy Particles under Confinement

Borówko

Staszewski

2022

IJMS

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Molecular dynamics simulations are used to investigate the behavior of polymer-tethered nanoparticles between two inert or attractive walls. The confinement in pores creates new possibilities for controlling the shape transformation of individual hairy particles and their self-organization. We introduce a minimalistic model of the system; only chain–wall interactions are assumed to be attractive, while the others are softly repulsive. We show how the shape of isolated particles can be controlled by changing the wall separation and the strength of the interaction with the surfaces. For attractive walls, we found two types of structures, “bridges” and “mounds”. The first structures are similar to flanged spools in which the chains are connected with both walls and form bridges between them. We observed various bridges, symmetrical and asymmetrical spools, hourglasses, and pillars. The bridge-like structures can be “nano-oscillators” in which the cores jump from one wall to the other. We also study the self-assembly of a dense fluid of hairy particles in slit-like pores and analyze how the system morphology depends on interactions with the surfaces and the wall separation. The hairy particles form layers parallel to the walls. Different ordered structures, resembling two-dimensional crystalline lattices, are reported. We demonstrate that hairy particles are a versatile soft component forming a variety of structures in the slits.

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Janus Ligand-Tethered Nanoparticles at Liquid–Liquid Interfaces

2023

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We investigate the structural properties of Janus ligand-tethered nanoparticles at liquid–liquid interfaces using coarse-grained molecular dynamics simulations. The effect of interactions between different chains and liquids is discussed. We consider the Janus particles with symmetrical interactions with the liquids which correspond to supplementary wettability and particles with uncorrelated interactions. Simulation results indicate that the Janus hairy particles trapped in the interface region have different configurations characterized by the vertical displacement distance, the orientation of the Janus line relative to the interface, and the particle shape. The Janus hairy particles present abundant morphologies, including dumbbell-like and typical core–shell, at the interface. The shape of adsorbed particles is analyzed in detail. The simulation data are compared with those predicted by a simple phenomenological approach. This work can promote the applications of Janus hairy particles in nanotechnology.

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Adsorption on Ligand-Tethered Nanoparticles

Cited by 8 publications

References 63 publications

Adsorption of Polymer-Tethered Particles on Solid Surfaces

Adsorption of Polymer-Tethered Particles on Solid Surfaces

Shape Transformations and Self-Assembly of Hairy Particles under Confinement

Janus Ligand-Tethered Nanoparticles at Liquid–Liquid Interfaces

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