Adsorption-induced co-assembly of hairy and isotropic particles

Staszewski, T.; Borówko, M.

doi:10.1039/c9cp06854f

Cited by 7 publications

(38 citation statements)

References 52 publications

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“…All energy parameters ε ij = ε (i, j = c, s, P) except for the particle-segment energy parameter, which is varied (ε Ps = 1.5ε and 3.0ε ). The motivation for choosing these values originates from the fact that similar parameters have already been used for planar brushes [27,28,41] and hairy particles [50]. In the framework of the implicit solvent model, these parameters correspond to the good solvent conditions [19].…”

Section: Description Of the Studied Systemsmentioning

confidence: 99%

“…A basic measure of adsorption is the excess adsorption [27,50]. For adsorption on a single spherical hairy particle, the excess adsorption (per particle) is defined as…”

Section: Excess Adsorption Isothermsmentioning

confidence: 99%

“…This value is determined from the analysis of the density profiles. Far away from the center of the core, its impact diminishes, and the density achieves a constant value, ρ b [27,50]. We normalize the excess adsorption in the following way…”

Section: Excess Adsorption Isothermsmentioning

confidence: 99%

“…Hairy nanoparticles can be treated as "living adsorbents"; their internal morphology changes in a response to interaction with the environment. In addition, the adsorption of fluid molecules induces the reconfiguration of tethered chains [43,45,48,50]. The chains attached to a curved surface are more mobile than those tethered on a flat substrate.…”

Section: Introductionmentioning

confidence: 99%

“…Thus, for hairy particles, these effects become stronger [19][20][21]23]. Furthermore, nanoparticles are typically dispersed in a solvent, and they can aggregate due to interactions between molecules adsorbed on different hairy particles [50,51]. There are only a few theoretical works devoted to a description of the adsorption on hairy nanoparticles [50,52] or hairy vesicles [53].…”

Section: Introductionmentioning

confidence: 99%

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Adsorption on Ligand-Tethered Nanoparticles

Borówko

Staszewski

2021

IJMS

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We use coarse-grained molecular dynamics simulations to study adsorption on ligand-tethered particles. Nanoparticles with attached flexible and stiff ligands are considered. We discuss how the excess adsorption isotherm, the thickness of the polymer corona, and its morphology depend on the number of ligands, their length, the size of the core, and the interaction parameters. We investigate the adsorption-induced structural transitions of polymer coatings. The behavior of systems involving curved and flat “brushes” is compared.

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Section: Description Of the Studied Systemsmentioning

confidence: 99%

“…A basic measure of adsorption is the excess adsorption [27,50]. For adsorption on a single spherical hairy particle, the excess adsorption (per particle) is defined as…”

Section: Excess Adsorption Isothermsmentioning

confidence: 99%

Section: Excess Adsorption Isothermsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Adsorption on Ligand-Tethered Nanoparticles

Borówko

Staszewski

2021

IJMS

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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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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-induced co-assembly of hairy and isotropic particles

Abstract: We use coarse-grained molecular dynamics simulations to study the behavior of polymer-tethered particles immersed in fluids of isotropic particles.

Cited by 7 publications

References 52 publications

Adsorption on Ligand-Tethered Nanoparticles

Adsorption on Ligand-Tethered Nanoparticles

Adsorption of Polymer-Tethered Particles on Solid Surfaces

Janus Ligand-Tethered Nanoparticles at Liquid–Liquid Interfaces

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