Molecular dynamics simulation of single droplet behavior on the windward side of a fiber filter during coalescence

Wang, Chaolei; Wang, Zhenbo; Sun, Zhiqian; Zhu, Liyun; Li, Yijie; Li, Teng

doi:10.1016/j.ces.2022.118150

Cited by 3 publications

(2 citation statements)

References 31 publications

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“…The contact angle against ϵ is shown in Figure b. When ϵ is 8 meV, the contact angle is 131°, which agrees with ref . The contact angle decreases as ϵ increases.…”

Section: Interaction Validationsupporting

confidence: 87%

Atomic-Level Insights into Hollow Silica-Based Materials for Drug Delivery: Effects of Wettability and Porosity

Song,

Dong,

Dong

et al. 2023

ACS Biomater. Sci. Eng.

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Experimental evidence has demonstrated that the drug carrier capacity can be significantly enhanced through the use of hollow silica particles. Nevertheless, the effects of varying functional drug carrier surfaces and porous structures remain ambiguous. This study employs molecular dynamics simulations to examine the effects of varying the surface wettability, pore size, and flow velocity on the transfer process. The different levels of wettability of the silica surface with the coarse-grained water model is illustrated by adjusted interaction parameters. The effect of wettability is investigated. With weak interactions, the flow molecules form a nanodroplet to transfer through the porous structure. A strong interaction will lead to molecules flowing as a liquid film to transfer through the structure. Interestingly, the “contradiction effect” is observed when the flow molecules fail to penetrate the porous structure with weak interactions, during which surface tension dominates their flow behavior. Moreover, different porous structures are considered. The flow behaviors are divided into three processes: (1) fast flowing, (2) transient point, and (3) penetration flowing. Furthermore, the concept of surface molecules is defined to quantitatively measure the effect of porosity. A recommended contact angle is proposed. The results will pave the way for more carrier structures in medical engineering.

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“…The contact angle against ϵ is shown in Figure b. When ϵ is 8 meV, the contact angle is 131°, which agrees with ref . The contact angle decreases as ϵ increases.…”

Section: Interaction Validationsupporting

confidence: 87%

Atomic-Level Insights into Hollow Silica-Based Materials for Drug Delivery: Effects of Wettability and Porosity

Song,

Dong,

Dong

et al. 2023

ACS Biomater. Sci. Eng.

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“…In this case, the adherence mode is usually observed with liquid droplets interacting with hydrophilic and super-hydrophilic surfaces, while the bouncing and splashing modes are observed when interacting with hydrophobic and super-hydrophobic surfaces. The main approaches to modeling these processes are based on the methods of volume of fluid [183,184], lattice Boltzmann [170,171], level set [185][186][187], phase field [172,174,188], front tracking [189], diffuse interface model [190], and molecular dynamic simulation [191].…”

Section: Mathematical Models For Describing the Interaction Of Liquid...mentioning

confidence: 99%

Hydrophilic and Hydrophobic Surfaces: Features of Interaction with Liquid Drops

Antonov,

Islamova,

Strizhak

2023

Materials

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The processes of interaction of liquid droplets with solid surfaces have become of interest to many researchers. The achievements of world science should be used for the development of technologies for spray cooling, metal hardening, inkjet printing, anti-icing surfaces, fire extinguishing, fuel spraying, etc. Collisions of drops with surfaces significantly affect the conditions and characteristics of heat transfer. One of the main areas of research into the interaction of drops with solid surfaces is the modification of the latter. Changes in the hydrophilic and hydrophobic properties of surfaces give the materials various functional properties—increased heat transfer, resistance to corrosion and biofouling, anti-icing, etc. This review paper describes methods for obtaining hydrophilic and hydrophobic surfaces. The features of the interaction of liquid droplets with such surfaces are considered. The existing and possible applications of modified surfaces are discussed, as well as topical areas of research.

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Puffing and micro-explosion effects in composite liquid fuels in different heating arrangements

Antonov,

Kuznetsov,

Razumov

et al. 2024

International Journal of Heat and Mass Transfer

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Molecular dynamics simulation of single droplet behavior on the windward side of a fiber filter during coalescence

Cited by 3 publications

References 31 publications

Atomic-Level Insights into Hollow Silica-Based Materials for Drug Delivery: Effects of Wettability and Porosity

Atomic-Level Insights into Hollow Silica-Based Materials for Drug Delivery: Effects of Wettability and Porosity

Hydrophilic and Hydrophobic Surfaces: Features of Interaction with Liquid Drops

Puffing and micro-explosion effects in composite liquid fuels in different heating arrangements

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