Van der Waals theory of curved surfaces

Blokhuis, Edgar M.; Bedeaux, Dick

doi:10.1080/00268979300102581

Cited by 79 publications

(108 citation statements)

References 10 publications

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“…This expression can also be extended to account for the pair density profile, whereby Eq. (14) becomes a limiting case [32,33]. The available computational methods for evaluating the Tolman length of curved interfaces, however, involve the determination of the surface tension γ.…”

Section: The Tolman Length From Molecular Simulationmentioning

confidence: 99%

Excess equimolar radius of liquid drops

et al. 2012

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The curvature dependence of the surface tension is related to the excess equimolar radius of liquid drops, i.e., the deviation of the equimolar radius from that defined with the macroscopic capillarity approximation. Based on the Tolman [J. Chem. Phys. 17, 333 (1949)] approach and its interpretation by Nijmeijer et al. [J. Chem. Phys. 96, 565 (1991)], the surface tension of spherical interfaces is analysed in terms of the pressure difference due to curvature. In the present study, the excess equimolar radius, which can be obtained directly from the density profile, is used instead of the Tolman length. Liquid drops of the truncated-shifted Lennard-Jones fluid are investigated by molecular dynamics simulation in the canonical ensemble, with equimolar radii ranging from 4 to 33 times the Lennard-Jones size parameter σ. In these simulations, the magnitudes of the excess equimolar radius and the Tolman length are shown to be smaller than σ/2. Other methodical approaches, from which mutually contradicting findings have been reported, are critically discussed, outlining possible sources of inaccuracy.

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Section: The Tolman Length From Molecular Simulationmentioning

confidence: 99%

Excess equimolar radius of liquid drops

et al. 2012

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“…It turns out that ␦ ϱ is strongly dependent on the symmetry of the density profile. For example, if one uses the symmetric hyperbolic-tangent density profile resulting from the gradient-expansion DFT, 39 ␦ ϱ ϭ0. 35,36 It is known that WDA can lead to microscopic oscillation on (z) at the liquid side at low temperatures and high liquid densities ͑above the so-called Fisk-Widom line͒.…”

Section: Appendix A: Evaluation Of Surface Tension and The Tolman Lenmentioning

confidence: 99%

Heterogeneous nucleation on mesoscopic wettable particles: A hybrid thermodynamic/density-functional theory

Bykov¹,

Zeng²

2002

The Journal of Chemical Physics

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A hybrid thermodynamic and density-functional theory for heterogeneous nucleation on mesoscopic wettable particles is developed. The nonlocal density-functional theory ͑DFT͒ is on basis of the weighted-density approximation ͑WDA͒ of Tarazona. The model system consists of a Lennard-Jones ͑LJ͒ fluid and a 9-3 LJ wall for the solid particle. Effects of the droplet curvature and compressibility are accounted for in the theory. A by-product of this work is the calculation of the Tolman length using the WDA-DFT ͑Appendix A͒. Important characteristics of the heterogeneous nucleation, including the chemical potential of the liquid condensate, the free energy of droplet formation, and the barrier height to nucleation, are obtained.

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“…To derive the curvature parameters, both order parameter profile and free energy are expanded to second order in curvature for a spherically and cylindrically shaped surface [28]. For example, in the spherical geometry we have:…”

Section: Semenov Model For Adsorption Onto Curved Surfacesmentioning

confidence: 99%

Polymer Adsorption on Curved Surfaces: Finite Chain Length Corrections

Skau

Blokhuis

2003

Macromolecules

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The structural properties of polymers adsorbed onto a surface have been widely investigated using self-consistent mean-field theories. Recently, analytical mean-field theories have been applied to study polymer adsorption on curved surfaces but all in the context of the ground state dominance approximation in which the polymer chain length (N ) is essentially infinite.Using an expression for the free energy by Semenov, we determine leading order (in 1/N ) corrections due to the finiteness of the polymer chain length on surface tension, spontaneous curvature, and rigidity constants.

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Van der Waals theory of curved surfaces

Cited by 79 publications

References 10 publications

Excess equimolar radius of liquid drops

Excess equimolar radius of liquid drops

Heterogeneous nucleation on mesoscopic wettable particles: A hybrid thermodynamic/density-functional theory

Polymer Adsorption on Curved Surfaces: Finite Chain Length Corrections

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