Mechanism for the effects of surface chemical composition and crystal face on the wettability of α-quartz surface

Deng, Yajun; Li, Zhenchao; Rao, Shihang; Zheng, Haomian; Huang, Xing; Qiao, Liang; Wang, Daigang; Lu, Hailong

doi:10.1016/j.apsusc.2023.157559

Cited by 8 publications

(9 citation statements)

References 61 publications

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“…Our simulations align with the experimental and theoretical study of Deng et al 16 The authors show that different α-quartz surfaces are completely water-wet with pure water. 16 We observe water films adjacent to the droplet. Detailed structural analysis for the adjacent films is conducted by dividing the systems into two slices (Figure 8).…”

Section: ■ Results and Discussionsupporting

confidence: 90%

“…Only a few studies have been conducted to compare the properties of different surfaces. 15,16 Molecular simulations are performed to understand the interfacial structures of α-quartz on different surfaces. The water structure may differ at the bonded interfacial layer, diffuse layer, and bulk region.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Wettability and interfacial structures have been extensively investigated for quartz/silica surfaces. The contact angle at the quartz/silica surface, a quantitative measure of wettability, has been reported by numerous authors. − Contact angles vary from strongly water-wet to intermediate-wet under certain conditions . Contact angle measurements pose various challenges: errors are associated with experimental procedures (pre-equilibration time and length-scale of measurements), surface roughness, and contamination.…”

Section: Introductionmentioning

confidence: 99%

“…Variations in wettability measurements under the same conditions are likely related to the choice of surfaces. Only a few studies have been conducted to compare the properties of different surfaces. , …”

Section: Introductionmentioning

confidence: 99%

“…9−16 Contact angles vary from strongly water-wet to intermediatewet under certain conditions. 16 Contact angle measurements pose various challenges: errors are associated with experimental procedures (pre-equilibration time and length-scale of measurements), surface roughness, and contamination. In quartz/water systems, contact angles vary from zero with pretreatment by piranha solution or plasma to a range of 13.5°−63.5°with pretreatment in petroleum ether, acetone, ethanol, and water.…”

Section: ■ Introductionmentioning

confidence: 99%

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Water Film Structure and Wettability of Different Quartz Surfaces: Hydrogen Bonding Across Various Cutting Planes

Kobayashi,

Firoozabadi

2024

Langmuir

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Quartz is ubiquitous in subsurface formations. The crystal faces have different atomic arrangements. Knowledge of the molecular structures on the surface of quartz is key in many processes. Molecular dynamics simulations are conducted to investigate the atomic arrangement effect on the water film structure, ion adsorption, and wettability at three different α-quartz surfaces. The interfacial structures depend on the quartz surface. Intrasurface hydrogen bonding between surface silanols differs in the α-quartz surface. At the (0001) surface, the OH density is 9.58 nm −2 , consisting of Q 2 units with two hydroxyl groups per silicone atom. At the (101̅ 0)-β surface, the OH density is 7.54 nm −2 , consisting of Q 3 units with one hydroxyl group per silicone atom; there is significant intrasurface hydrogen bonding. At the (101̅ 0)-α surface, the OH density is 7.54 nm −2 , consisting of Q 2 units; however, there is little intrasurface hydrogen bonding. The intrasurface hydrogen bonding results in the exposure of hydrogen-bond acceptors to the aqueous phase, causing water molecules to have an H-up (hydrogen toward surface) orientation. This orientation can be found at the (0001) and (101̅ 0)-β surfaces; it is related to the degree of ordering at the surface. The ordering at the (0001) and (101̅ 0)-β surfaces is higher than that at the (101̅ 0)-α surface. In aqueous systems with ions, cation adsorption is the most dominant at the (0001) surface due to the largest surface density of the intrasurface hydrogen bonding, providing interaction sites for cations to be adsorbed. We observe a pronounced decrease in water film thickness from the ions at the (0001) surface only, likely due to significant cation adsorption. In this work, we demonstrate that the hydrogen-bond network, which varies from the plane cut, affects the water film structure and ion adsorption. The contact is nearly zero despite the changes in the film thickness and molecular structure at the temperature of 318 K.

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Section: ■ Results and Discussionsupporting

confidence: 90%

Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Water Film Structure and Wettability of Different Quartz Surfaces: Hydrogen Bonding Across Various Cutting Planes

Kobayashi,

Firoozabadi

2024

Langmuir

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Quantitative experimental study on the apparent contact angle of unsaturated loess and its application in soil–water characteristics curve modeling

Fu,

Xu,

Liao

2024

Vadose Zone Journal

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Advancing and receding water contact angles, often denoted as the maximum and minimum apparent water contact angles, are crucial parameters reflecting a soil's water holding capacity. These parameters play an important role in establishing theoretical soil–water characteristic curves (SWCCs) for unsaturated soils. However, pre‐assuming constant advancing and receding contact angles during soil wetting and drying processes may be erroneous due to their close correlations with the water content and void ratio. To address this research gap, systematic laboratory measurements were conducted on a loess with different void ratios and water contents. Apparent water contact angles were acquired using an axisymmetric drop shape analyzer, enabling a comprehensive dataset. Analysis of variance was employed to assess the statistically significant differences between void ratios and water contents. The results reveal a significant increase in the observed water contact angle as the void ratio decreases and a decrease with increasing water content. Although both the void ratio and water content influence the water contact angle, the latter has a more pronounced effect. The relationship between the receding water contact angle and water content/void ratio is observed to be linear. The identification of this linear relationship offers insights into the fitting of the SWCC for loess across varying void ratios. This study serves to enhance theoretical methodologies, particularly in the adaptation of contact angles, thus facilitating the development of more precise SWCC models.

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Wettability Modification of Glass Surfaces by Deposition of Transparent Conducting Oxides Using Laser Texturing

Tahir,

Aqida,

Ismail

2024

J. of Materi Eng and Perform

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Mechanism for the effects of surface chemical composition and crystal face on the wettability of α-quartz surface

Cited by 8 publications

References 61 publications

Water Film Structure and Wettability of Different Quartz Surfaces: Hydrogen Bonding Across Various Cutting Planes

Water Film Structure and Wettability of Different Quartz Surfaces: Hydrogen Bonding Across Various Cutting Planes

Quantitative experimental study on the apparent contact angle of unsaturated loess and its application in soil–water characteristics curve modeling

Wettability Modification of Glass Surfaces by Deposition of Transparent Conducting Oxides Using Laser Texturing

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