Surface tension of spherical drops from surface of tension

Homman, Ahmed-Amine; Bourasseau, Émeric; Stoltz, Gabriel; Malfreyt, Patrice; Strafella, Loic; Ghoufi, Aziz

doi:10.1063/1.4862149

Cited by 23 publications

(27 citation statements)

References 24 publications

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“…The general overall trend obtained in our and the aforementioned 50,51 studies that the vapour-liquid interfacial tension of nanoscopic drops of water decreases quite sharply with a decrease in the drop radius after a given size is reached is in stark contrast with the recent findings of Joswiak et al 53 for TIP4P/2005 water (the same potential model as we use) and of Homman et al 54 for TIP4P water; the data for the TIP4P model have not been included in Figure 10 because the force field leads to an underestimate of the planar value of the tension of real water of almost 20%. 25 Both of these groups report a significant increase in the interfacial tension of water drops by more than 10 mN m −1 from the planar limit as the radius is decreased to R e ∼ 7.0 Å at ambient temperature (300 K).…”

Section: B Resultscontrasting

confidence: 55%

“…(3)). It is difficult to uncover the reason for the discrepancy with our findings for the curvature dependence of water nanodrops, though it is possible that the use of a local pressure of the liquid at the interior of the drop by Homman et al, 54 rather than the pressure of an equivalent bulk liquid phase with the same chemical potential, could be problematic; the reader is directed to Ref. 29 for a discussion of the issues associated with the use of the Laplace relation for small systems.…”

Section: B Resultscontrasting

confidence: 50%

“…Surprisingly, these authors found that the vapour-liquid interfacial tension at ambient conditions (300 K) now increased continuously from the planar limit of γ ∞ = 65.5 mN m −1 (for the TIP4P/2005 model not including long-range corrections 25 ) to γ ∼ 77 mN m −1 on decreasing the size of the nanodrop to a radius of R ∼ 6 Å. A similar increase in the interfacial tension of the TIP4P model by more than 10 mN m −1 from the planar limit on decreasing the radius to R ∼ 7 Å was reported recently by Homman et al 54 using the Laplace relation with a novel approach for the determination of the surface of tension R s ; no discussion was offered as to why the trend is the opposite to that shown in earlier work by the group with the DPD model. 51 On the other hand, in their analysis of the vapour pressure of drops of water represented with the mW coarse-grained model, Factorovich et al 55 demonstrated that the macroscopic Kelvin relation (cf.…”

Section: Introductionsupporting

confidence: 55%

“…25 Both of these groups report a significant increase in the interfacial tension of water drops by more than 10 mN m −1 from the planar limit as the radius is decreased to R e ∼ 7.0 Å at ambient temperature (300 K). Joswiak et al 53 computed the free energy associated with separating a liquid drop into a pair of smaller drops to estimate the interfacial tension, while Homman et al 54 determine the tension from the surface of tension R s and the Laplace relation (with R = R s in Eq. (3)).…”

Section: B Resultsmentioning

confidence: 99%

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Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water

Lau

Ford

Hunt

et al. 2015

The Journal of Chemical Physics

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The test-area (TA) perturbation approach has been gaining popularity as a methodology for the direct computation of the interfacial tension in molecular simulation. Though originally implemented for planar interfaces, the TA approach has also been used to analyze the interfacial properties of curved liquid interfaces. Here, we provide an interpretation of the TA method taking the view that it corresponds to the change in free energy under a transformation of the spatial metric for an affine distortion. By expressing the change in configurational energy of a molecular configuration as a Taylor expansion in the distortion parameter, compact relations are derived for the interfacial tension and its energetic and entropic components for three different geometries: planar, cylindrical, and spherical fluid interfaces. While the tensions of the planar and cylindrical geometries are characterized by first-order changes in the energy, that of the spherical interface depends on second-order contributions. We show that a greater statistical uncertainty is to be expected when calculating the thermodynamic properties of a spherical interface than for the planar and cylindrical cases, and the evaluation of the separate entropic and energetic contributions poses a greater computational challenge than the tension itself. The methodology is employed to determine the vapour-liquid interfacial tension of TIP4P/2005 water at 293 K by molecular dynamics simulation for planar, cylindrical, and spherical geometries. A weak peak in the curvature dependence of the tension is observed in the case of cylindrical threads of condensed liquid at a radius of about 8 Å, below which the tension is found to decrease again. In the case of spherical drops, a marked decrease in the tension from the planar limit is found for radii below ∼15 Å; there is no indication of a maximum in the tension with increasing curvature. The vapour-liquid interfacial tension tends towards the planar limit for large system sizes for both the cylindrical and spherical cases. Estimates of the entropic and energetic contributions are also evaluated for the planar and cylindrical geometries and their magnitudes are in line with the expectations of our simple analysis. C 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. [http://dx

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Section: B Resultscontrasting

confidence: 55%

Section: B Resultscontrasting

confidence: 50%

Section: Introductionsupporting

confidence: 55%

Section: B Resultsmentioning

confidence: 99%

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Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water

Lau

Ford

Hunt

et al. 2015

The Journal of Chemical Physics

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“…The behavior of the surface tension with the slab thickness seems analogous to that observed for liquid drops with increasing the surface curvature. [29][30][31][32][33] Simulations of drops and cylinders are currently under progress to investigate this point.…”

Section: Discussionmentioning

confidence: 99%

Communication: Slab thickness dependence of the surface tension: Toward a criterion of liquid sheets stability

Filippini

Bourasseau

Ghoufi

et al. 2014

The Journal of Chemical Physics

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Microscopic Monte Carlo simulations of liquid sheets of copper and tin have been performed in order to study the dependence of the surface tension on the thickness of the sheet. It results that the surface tension is constant with the thickness as long as the sheet remains in one piece. When the sheet is getting thinner, holes start to appear, and the calculated surface tension rapidly decreases with thickness until the sheet becomes totally unstable and forms a cylinder. We assume here that this decrease is not due to a confinement effect as proposed by Werth et al. [Physica A 392, 2359[Physica A 392, (2013] on Lennard-Jones systems, but to the appearance of holes that reduces the energy cost of the surface modification. We also show in this work that a link can be established between the stability of the sheet and the local fluctuations of the surface position, which directly depends on the value of the surface tension. Finally, we complete this study by investigating systems interacting through different forms of Lennard-Jones potentials to check if similar conclusions can be drawn.

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A strategy to drive nanoflow using Laplace pressure and the end effect

Zhang,

Xu,

Fan

et al. 2024

Droplet

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Nanofluidics holds significant potential across diverse fields, including energy, environment, and biotechnology. Nevertheless, the fundamental driving mechanisms on the nanoscale remain elusive, underscoring the crucial importance of exploring nanoscale driving techniques. This study introduces a Laplace pressure‐driven flow method that is accurately controlled and does not interfere with interfacial dynamics. Here, we first confirmed the applicability of the Young–Laplace equation for droplet radii ranging from 1 to 10 nm. Following that, a steady‐state liquid flow within the carbon nanotube was attained in molecular dynamics simulations. This flow was driven by the Laplace pressure difference across the nanochannel, which originated from two liquid droplets of unequal sizes positioned at the channel ends, respectively. Furthermore, we employ the Sampson formula to rectify the end effect, ultimately deriving a theoretical model to quantify the flow rate, which satisfactorily describes the molecular dynamics simulation results. This research enhances our understanding on the driving mechanisms of nanoflows, providing valuable insights for further exploration in fluid dynamics on the nanoscale.

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Surface tension of spherical drops from surface of tension

Cited by 23 publications

References 24 publications

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water

Communication: Slab thickness dependence of the surface tension: Toward a criterion of liquid sheets stability

A strategy to drive nanoflow using Laplace pressure and the end effect

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