Constrained lattice density functional theory and its applications on vapor–liquid nucleations

Guo, Zhenjiang; Liu, Yawei; Zhang, Xuehua

doi:10.1007/s11434-014-0702-y

Cited by 6 publications

(5 citation statements)

References 66 publications

(81 reference statements)

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“…In particular, the molecular details for the tip–nanobubble interaction have not been studied yet. To elucidate the interaction mechanism and to study the possible interplay between nanobubble deformation and induced attraction, we used in our work constraint lattice density functional theory (constraint LDFT) , to investigate the interaction between AFM tips and pinned surfaces nanobubble in a systematic manner.…”

Section: Introductionmentioning

confidence: 99%

Modeling the Interaction between AFM Tips and Pinned Surface Nanobubbles

et al. 2016

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Although the morphology of surface nanobubbles has been studied widely with different AFM modes, AFM images may not reflect the real shapes of the nanobubbles due to AFM tip-nanobubble interactions. In addition, the interplay between surface nanobubble deformation and induced capillary force has not been well understood in this context. In our work we used constraint lattice density functional theory to investigate the interaction between AFM tips and pinned surface nanobubbles systematically, especially concentrating on the effects of tip hydrophilicity and shape. For a hydrophilic tip contacting a nanobubble, its hydrophilic nature facilitates its departure from the bubble surface, displaying a weak and intermediate-range attraction. However, when the tip squeezes the nanobubble during the approach process, the nanobubble shows an elastic effect that prevents the tip from penetrating the bubble, leading to a strong nanobubble deformation and repulsive interactions. On the contrary, a hydrophobic tip can easily pierce the vapor-liquid interface of the nanobubble during the approach process, leading to the disappearance of the repulsive force. In the retraction process, however, the adhesion between the tip and the nanobubble leads to a much stronger lengthening effect on nanobubble deformation and a strong long-range attractive force. The trends of force evolution from our simulations agree qualitatively well with recent experimental AFM observations. This favorable agreement demonstrates that our model catches the main intergradient of tip-nanobubble interactions for pinned surface nanobubbles and may therefore provide important insight into how to design minimally invasive AFM experiments.

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Section: Introductionmentioning

confidence: 99%

Modeling the Interaction between AFM Tips and Pinned Surface Nanobubbles

et al. 2016

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“…Thus, a fundamental question arises: Is there a possibility that the gaseous state of nanobubbles can exist in the undersaturated liquid? In this paper, we used constraint lattice density functional theory (constraint LDFT) , to investigate the effect of the saturation degree on the stability of nanobubbles and to find out the possibility for the existence of the thermodynamically stable gaseous state in undersaturated liquids.…”

Section: Introductionmentioning

confidence: 99%

Hidden Nanobubbles in Undersaturated Liquids

et al. 2016

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Here, we propose theoretically the existence of a new type of nanobubble in undersaturated liquids. These nanobubbles have a concave vapor-liquid interface featured with a negative curvature rather than a positive curvature for nanobubbles in supersaturated liquids, so that they often hide inside of the substrate textures and it might not be easy to characterize them through atomic force microscopy (AFM) measurements. However, these hidden nanobubbles are still stabilized by the contact line pinning effect and stay at the thermodynamically metastable state. We further demonstrate that similar to the nanobubbles in supersaturated liquids the contact angle of the hidden nanobubbles is more sensitive to the nanobubble size rather than the substrate chemistry, and their curvature radius is dependent on the chemical potential but independent of the base radius. Finally, we show several potential situations for the appearance of the hidden nanobubbles.

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“…The lattice density functional theory (LDFT) [51][52][53][54][55][56][57] based on a simple cubic lattice gas model provides a very simple but efficient method to investigate the behavior of simple fluids at a molecular level, and has been widely used to study the capillary condensation and evaporation [51][52][53][54][55] , the vapor-liquid nucleation [58][59][60][61][62] , the water bridges [63] and the wetting of solid surface [64,65] . In these years, LDFT has also been used to study the pinned surface nanobubbles [34,[66][67][68][69][70] .…”

Section: Lattice Density Functional Theorymentioning

confidence: 99%

A review of recent theoretical and computational studies on pinned surface nanobubbles

Liu

Zhang

2018

Chinese Phys. B

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The findings of long-lived surface nanobubbles in various experiments brought a puzzle in theory, as they were supposed to be dissolved in microseconds due to the high Laplace pressure. However, an increasing number of studies suggest that the pinning of contact line, together with certain levels of oversaturation, is responsible for the anomalous stability of surface nanobubble. This mechanism can interpret most characteristics of surface nanobubbles. Here we summarize recent theoretical and computational work to explain how the surface nanobubbles become stable with the pinning of contact line. Other related work devoted to understand the unusual behaviors of pinned surface nanobubbles are also reviewed here.

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Constrained lattice density functional theory and its applications on vapor–liquid nucleations

Cited by 6 publications

References 66 publications

Modeling the Interaction between AFM Tips and Pinned Surface Nanobubbles

Modeling the Interaction between AFM Tips and Pinned Surface Nanobubbles

Hidden Nanobubbles in Undersaturated Liquids

A review of recent theoretical and computational studies on pinned surface nanobubbles

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