Hard sphere mixtures near a hard wall

Noworyta, Jerzy P.; Henderson, Douglas; Sokołowski, S.; Chan, Kwong‐Yu

doi:10.1080/00268979809483175

Cited by 26 publications

(45 citation statements)

References 8 publications

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“…We have calculated the density profiles of both components for various values of the packing fraction of the small spheres, η s , and that of the big spheres, η b , and various size ratios q = σ s /σ b and compared results with simulation data from [29] and with results obtained using the original Rosenfeld functional [30]. As was the case for the pure fluid, we observe good overall agreement between the various approaches.…”

Section: Hard-sphere Fluid At a Planar Hard Wallmentioning

confidence: 87%

Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version

Roth

Evans

Lang

et al. 2002

J. Phys.: Condens. Matter

625

812

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We develop a density functional for hard-sphere mixtures which keeps the structure of Rosenfeld's fundamental measure theory (FMT) whilst inputting the Mansoori-Carnahan-Starling-Leland bulk equation of state. Density profiles for the pure hard-sphere fluid and for some binary mixtures adsorbed at a planar hard wall obtained from the present functional exhibit some improvement over those from the original FMT. The pair direct correlation function c (2) (r ) of the pure hard-sphere fluid, obtained from functional differentiation, is also improved. When a tensor weight function is incorporated for the pure system our functional yields a good description of fluid-solid coexistence and of the properties of the solid phase.

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Section: Hard-sphere Fluid At a Planar Hard Wallmentioning

confidence: 87%

Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version

Roth

Evans

Lang

et al. 2002

J. Phys.: Condens. Matter

625

812

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show abstract

“…Computer simulations in different systems [9,65] have confirmed that the confinementinduced evaporation is a real phenomenon. Experimentally, however, no evidence in favor of a significantly reduced density in the center of thin water films has been given.…”

Section: Discussionmentioning

confidence: 99%

Dynamics of capillary evaporation. I. Effect of morphology of hydrophobic surfaces

Luzar

Leung

2000

The Journal of Chemical Physics

115

137

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Cavitation has been suggested to be a possible source of long range interactions between mesoscopic hydrophobic surfaces. While evaporation is predicted by thermodynamics,little is known about its kinetics. Glauber dynamics Monte Carlo simulationsof a lattice gas close to liquid-gascoexistence and confined between partially drying surfacesare used to model the effect of water confinement on the dynamics of surface-inducedphase transition. Specifically, we examine how kinetics of induced evaporation change as the texture of hydrophobic surfacesis varied. Evaporationrates are considerably slowed with relatively small amount of hydrophilic coverage. However, the distribution of hydrophilic patches is found to be crucial, with the homogeneous one being much more effectivein slowingthe formation of vapor tubes which triggersthe evaporationprocess. We estimatethe fi-eeenergy barrierof vapor tube formation via transitionstate theory,usinga constrainedforwardbackward umbrella sampling technique applied to the metastable, confined liquid. Furthermore,to relate simulationrates to experimentalones, we perform simulationsusing the mass-conservingKawasakialgorithm. We predict evaporation time scales that range horn hundredsof picosecond in the case of mesoscopic surfacesN 104 nm2 to tens of nanosecondsfor smaller surfaces N 40 nm2, when the two surfacesare w 10 solvent layersapart. The present study demonstrates that cavitation is kinetically viable in real systems and should be considered in studies of processesat confined geometry. I.

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“…Here we analyze this problem by using the corresponding Rosenfeld functional both in its original version [4] as well as for sophistications thereof [17,18]. By comparing these results with published simulation data [10] we assess to which extent the quantitative reliability of the Rosenfeld functional for the one-component hard-sphere fluid remains valid for the corresponding binary system.…”

Section: Introductionmentioning

confidence: 99%

“…Monte Carlo simulations [7][8][9][10], integral equation theories [9], and various kinds of density functional theory [8][9][10][11][12][13][14][15], as well as in spherical pores [16]. Here we analyze this problem by using the corresponding Rosenfeld functional both in its original version [4] as well as for sophistications thereof [17,18].…”

Section: Introductionmentioning

confidence: 99%

Binary hard-sphere fluids near a hard wall

Roth

Dietrich

2000

Phys. Rev. E

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By using the Rosenfeld density functional we determine the number density profiles of both components of binary hard-sphere fluids close to a planar hard wall as well as the corresponding excess coverage and surface tension. The comparison with published simulation data demonstrates that the Rosenfeld functional, both its original version and sophistications thereof, is superior to previous approaches and exhibits the same excellent accuracy as known from studies of the corresponding one-component system.

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Hard sphere mixtures near a hard wall

Cited by 26 publications

References 8 publications

Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version

Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version

Dynamics of capillary evaporation. I. Effect of morphology of hydrophobic surfaces

Binary hard-sphere fluids near a hard wall

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