A molecular dynamics study on surface tension of microbubbles

Park, Seung Ho; Weng, Jian-Gang; Tien, C. L.

doi:10.1016/s0017-9310(00)00244-1

Cited by 73 publications

(42 citation statements)

References 14 publications

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“…This contradicts the results of Ref. [11] and ours. It seems to us that this contradiction is probably attributed to the empirical equation of state used in the calculation of vapour in Ref.…”

Section: Explanation Of the Origin Of The Tolman Length Difference Incontrasting

confidence: 99%

“…This is close to the results given in Refs. [11] and [16], where the surface tensions γ * ′ ∞ are 0.545 for r * c = 3 and T * = 0.818, and 0.55 for r * c = 2.5 and T * = 0.72.…”

Section: Simulation Of the Planar Vapourliquid Interface Systemmentioning

confidence: 99%

“…Park et al's work [11] in 2001 is the first molecular dynamics (MD) study on the surface tension of bubbles. They found that the surface tension of vapour bubbles of liquid argon decreases with radius increasing and from their data, we can obtain Tolman length δ ∞ to be about −0.75.…”

Section: Introductionmentioning

confidence: 99%

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Size-dependent surface tension of a cylindrical nanobubble in liquid Ar

2012

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In view of the continued disputes on the fundamental question of whether the surface tension of a vapour bubble in liquid argon increases, or decreases, or remains unchanged with the increase of curvature radius, a cylindrical vapour bubble of argon is studied by molecular dynamics simulation in this paper instead of spherical vapour bubble so as to reduce the statistical error. So far, the surface tension of the cylindrical vapour bubble has not been studied by molecular dynamics simulation in the literature. Our results show that the surface tension decreases with radius increasing. By fitting the Tolman equation with our data, the Tolman length δ = −0.6225 sigma is given under cut-off radius 2.5σ, where σ = 0.3405 nm is the diameter of an argon atom. The Tolman length of Ar being negative is affirmed and the Tolman length of Ar being approximately zero given in the literature is negated, and it is pointed out that this error is attributed to the application of the inapplicable empirical equation of state and the neglect of the difference between surface tension and an equimolar surface.

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Section: Explanation Of the Origin Of The Tolman Length Difference Incontrasting

confidence: 99%

“…This is close to the results given in Refs. [11] and [16], where the surface tensions γ * ′ ∞ are 0.545 for r * c = 3 and T * = 0.818, and 0.55 for r * c = 2.5 and T * = 0.72.…”

Section: Simulation Of the Planar Vapourliquid Interface Systemmentioning

confidence: 99%

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Size-dependent surface tension of a cylindrical nanobubble in liquid Ar

2012

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“…We therefore concluded that the YL equation still holds for nano-scale bubbles, which leads to a large negative pressure for the surrounding liquid at the equilibrium. Park et al (11) reported a slight size dependence of γ (increase by up to 15%) for nano-scale bubbles, which does not dissolve the above difficulty, either. In this paper, we try to elucidate what happens at the initial stage of nucleate boiling on ideally smooth surfaces.…”

Section: Introductionmentioning

confidence: 94%

Initial Stage of Nucleate Boiling: Molecular Dynamics Investigation

Yamamoto

Matsumoto

2012

JTST

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We investigated the initial stage of nucleate boiling on ideally smooth surface with a molecular dynamics simulation technique. Lennard-Jones (LJ) model liquid was confined in a rectangular simulation cell, contacting with a flat smooth solid wall. The wall consists of fcc crystal of LJ-like particles. After the system was thermally equilibrated, the temperature of wall particles was raised to transfer thermal energy to the liquid. We examined two cases, the overall heating where the surface temperature is kept constant all over the area, and the partial (spot) heating where two regions of heating and cooling are placed. In both cases, when the liquid in the vicinity of the heating surface obtains sufficient energy, it thermally expands and its pressure decreases, leading to formation of bubble nuclei of atomic size. The inception time of nucleation was found to be affected by surface wettability as well as the surface temperature. When the surface is hydrophobic and the heating area is small, size oscillation of the generated bubbles was observed.

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“…When the result obtained is not satisfactory, they attribute it calculation error or statistic fluctuation because the molecular number is not sufficient [3,4]. For example it is the general way to follow a thermodynamics route and mechanical route in literature in molecular dynamics study [3,5] For mechanical route [3], there is , [7] made a series of molecular simulations to evaluate the pressure difference of bubbles and the radius of bubbles and then the surface tension was obtained from the Young-Laplace equation. They found that the surface tension is independent of the bubble radius and agrees with the surface tension of a planar interface.…”

Section: Physical Chemistry Of Nanoclusters and Nanomaterialsmentioning

confidence: 99%

On the applicability of Young–Laplace equation for nanoscale liquid drops

Yan

Wei²,

Cui

et al. 2016

Russ. J. Phys. Chem.

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Abstract-Debates continue on the applicability of the Young-Laplace equation for droplets, vapor bubbles and gas bubbles in nanoscale. It is more meaningful to find the error range of the Young-Laplace equation in nanoscale instead of making the judgement of its applicability. To do this, for seven liquid argon drops (containing 800, 1000, 1200, 1400, 1600, 1800, or 2000 particles, respectively) at T = 78 K we determined the radius of surface of tension and the corresponding surface tension by molecular dynamics simulation based on the expressions of and in terms of the pressure distribution for droplets. Compared with the two-phase pressure difference directly obtained by MD simulation, the results show that the absolute values of relative error of two-phase pressure difference given by the Young-Laplace equation are between 0.0008 and 0.027, and the surface tension of the argon droplet increases with increasing radius of surface of tension, which supports that the Tolman length of Lennard-Jones droplets is positive and that Lennard-Jones vapor bubbles is negative. Besides, the logic error in the deduction of the expressions of the radius and the surface tension of surface of tension, and in terms of the pressure distribution for liquid drops in a certain literature is corrected.

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A molecular dynamics study on surface tension of microbubbles

Cited by 73 publications

References 14 publications

Size-dependent surface tension of a cylindrical nanobubble in liquid Ar

Size-dependent surface tension of a cylindrical nanobubble in liquid Ar

Initial Stage of Nucleate Boiling: Molecular Dynamics Investigation

On the applicability of Young–Laplace equation for nanoscale liquid drops

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