Wetting properties of structured interfaces composed of surface-attached spherical nanoparticles

Bhattarai, Bishal; Priezjev, Nikolai V.

doi:10.1016/j.commatsci.2017.11.036

Cited by 8 publications

(4 citation statements)

References 41 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Note that these results are obtained for a specific areal fraction, i.e., φ S = 10 πR 2 /A ≈ 0.48, where A = 50 × 440 σ 2 is the area of the solid plane, and R = 18.3 σ is the radius of a sphere with the excluded volume of atoms of size σ. In the recent study, it was shown that the critical pressure, below which a polymer film remains suspended on an array of spherical particles with a similar areal fraction, can be equally well estimated by MD simulations and numerical minimization of the interfacial energy [33]. We comment also that the local contact angle of a polymer (10-mers) droplet residing on a flat solid plane with the density of 1.0 σ −2 was evaluated previously as a function of the surface energy [33].…”

Section: Resultsmentioning

confidence: 99%

“…In the recent study, it was shown that the critical pressure, below which a polymer film remains suspended on an array of spherical particles with a similar areal fraction, can be equally well estimated by MD simulations and numerical minimization of the interfacial energy [33]. We comment also that the local contact angle of a polymer (10-mers) droplet residing on a flat solid plane with the density of 1.0 σ −2 was evaluated previously as a function of the surface energy [33].…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Molecular dynamics simulation study of a polymer droplet transport over an array of spherical nanoparticles

Thomas

Priezjev

2020

Computational Materials Science

Self Cite

View full text Add to dashboard Cite

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Molecular dynamics simulation study of a polymer droplet transport over an array of spherical nanoparticles

Thomas

Priezjev

2020

Computational Materials Science

Self Cite

View full text Add to dashboard Cite

“…The spreading of liquid droplets on a solid substrate is ubiquitous and critical in nature and industries with extensive applications in lubrication, painting, surface coating, oil recovery, and so forth. − Microscopically, the ultimate state of spreading is determined by the competition between two forces: the attraction from the substrate and the friction between the liquid layers and the substrate surface. Influencing both the forces at the molecular scale, solid–liquid interactions play a crucial role in spreading dynamics. ,,− Therefore, it is vitally important to investigate the effects of solid–liquid interactions on the spreading of liquid on the solid surface. However, even though the spreading of liquid droplets on solid substrates has been extensively studied, − ,,− a fundamental understanding of how the solid–liquid interactions control the substrate hydrophilicity and the spreading phenomena is still lacking.…”

Section: Introductionmentioning

confidence: 99%

Effect of Solid–Liquid Interactions on Substrate Wettability and Dynamic Spreading of Nanodroplets: A Molecular Dynamics Study

Hubao

Yang

et al. 2020

J. Phys. Chem. C

View full text Add to dashboard Cite

Solid−liquid interaction plays a key role in substrate wettability and spreading dynamics of liquid droplets. Yet, how the solid−liquid interaction controls wettability and the spreading process is still not fully understood. Here, we employ molecular dynamics simulations to study water nanodroplet spreading on a flat substrate under a wide range of solid−liquid interaction strengths by varying the collision diameter and depth of the potential well in 12-6 Leonard-Jones potentials between water molecules and substrate atoms. We find that the substrate transitions from hydrophobic to hydrophilic with increasing solid−liquid interaction strength. We show that the cosine of the equilibrium contact angle increases linearly with the interaction strength below a critical value, beyond which the liquid spreads completely with a precursor film (PF) and a spreading radius (including both the bulk liquid and the PF) growing roughly as R ∼ t 1/3.5 . We also observe that an overlarge solid−liquid interaction strength hinders the growth of spreading radius R after obvious PFs with a thickness of one or two water molecules form on the substrate. We demonstrate that spreading phenomena are associated with the landscape of potential fields controlled by the solid−liquid interaction parameters. These new findings provide an improved understanding of spreading processes at the molecular scale.

show abstract

“…Khomenko et al 40 studied the behavior of silver and nickel nanoparticles interacting with a graphene sheet and measured the frictional force on the sheet as a function of their size. Bhattari et al 41 investigated the effect of external pressure and surface energy on the wetting of nanotextured surfaces and obtained the critical pressure with regard to the curvature of the liquid interface.…”

Section: ■ Introductionmentioning

confidence: 99%

Molecular Dynamics Study of Friction Reduction of Two-Phase Flows on Surfaces Using 3D Hierarchical Nanostructures

2019

View full text Add to dashboard Cite

The use of superhydrophobic surfaces is one the most promising methods for reducing the friction and increasing the flow rate in fluid transfer systems. Because in such systems the surface structure plays a key role, in this study, we explore the performance of the hierarchical nanostructures. These nanostructures are inspired by the superhydrophobic surface of the lotus leaf. We consider a flow between two walls with hierarchical nanostructures and simulate the system via the molecular dynamics method. The size of the nanostructures and the distance between them have been studied to find whether a design with a maximum flow rate exists. The nanostructures have two parts, a bigger part on the wall which is a half-sphere and a smaller part which is a cylinder on top of the bigger part. Twenty-four different nanostructures are placed on the two walls and three different distances are selected. The effect of wall materials was also examined by considering four different materials, namely, carbon, silicon, and two other hypothetical materials. In the second part of this study, a two-phase flow consisting of water and air have been simulated to study the effect of the trapped airs in the performance. The results show that in the carbon-made walls for the design with minimum pressure drop, the slip length increases by 97% and the flow rate increases by 200%. The increases for silicon-made walls and similar sizes are 99 and 183%, for the slip length and the flow rate, respectively. The slip length for carbon-made walls is almost 3 times larger than the silicon-made walls. Finally, by increasing the air fraction up to 30% in the carbon-made walls, the slip length increases by 430% and the flow rate increases by 310%, and also, for the silicon-made walls, the increases are 380 and 360% for the slip length and the flow rate, respectively.

show abstract

Wetting properties of structured interfaces composed of surface-attached spherical nanoparticles

Cited by 8 publications

References 41 publications

Molecular dynamics simulation study of a polymer droplet transport over an array of spherical nanoparticles

Molecular dynamics simulation study of a polymer droplet transport over an array of spherical nanoparticles

Effect of Solid–Liquid Interactions on Substrate Wettability and Dynamic Spreading of Nanodroplets: A Molecular Dynamics Study

Molecular Dynamics Study of Friction Reduction of Two-Phase Flows on Surfaces Using 3D Hierarchical Nanostructures

Contact Info

Product

Resources

About