Asymmetric binary mixtures with attractive forces: towards a quantitative description of the potential of mean force

Amokrane, S.; Malherbe, J. G.

doi:10.1088/0953-8984/13/33/302

Cited by 27 publications

(28 citation statements)

References 38 publications

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“…The RFA integral equation theory employed in this work shows a dramatic improvement with respect to those theories. We find that the RFA theory reproduced quantitatively the simulation results for d > σ s (consistent with previous studies [39,40,41]), but fails to capture the magnitude of the attractive force in the depletion region d < σ s .…”

Section: A Mean Force Of Nanoparticles In Bulk Phasessupporting

confidence: 83%

Solvent-mediated interactions between nanoparticles at fluid interfaces

Bresme

Lehle²,

Oettel³

2009

The Journal of Chemical Physics

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We investigate the solvent-mediated interactions between nanoparticles adsorbed at a liquid-vapor interface in comparison to the solvent-mediated interactions in the bulk liquid and vapor phases of a Lennard-Jones solvent. Molecular dynamics simulation data for the latter are in good agreement with results from integral equations in the reference functional approximation and a simple geometric approximation. Simulation results for the solvent-mediated interactions at the interface differ markedly from the interactions of the particles in the corresponding bulk phases. We find that at short interparticle distances, the interactions are considerably more repulsive than those in either bulk phase. At long interparticle distances we find evidence for a long-ranged attraction. We discuss these observations in terms of interfacial interactions, namely, the three-phase line tension that would operate at short distances and capillary wave interactions for longer interparticle distances.

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Section: A Mean Force Of Nanoparticles In Bulk Phasessupporting

confidence: 83%

Solvent-mediated interactions between nanoparticles at fluid interfaces

Bresme

Lehle²,

Oettel³

2009

The Journal of Chemical Physics

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“…they give again evidence for importance of the mean curvature (line tension) term in Eq. (21). However, away from that regime, the depletion force deviates significantly from both the morphometric form and the insertion route result such that the depletion potential at contact ( Fig.…”

Section: B Solute-solute Interactionmentioning

confidence: 86%

“…Finally we want to mention that the explicit DFT methods introduced here, together with the morphometric form of the depletion force in Eq. (21), can be used to improve available analytic forms [60,61] for the contact values of the pair correlation functions in hard-sphere mixtures (note that the solute-solute contact value is given by g bb (2R b ) = exp[−βW (0)]).…”

Section: B Solute-solute Interactionmentioning

confidence: 99%

“…Here, the terminus "bulk" methods refers to methods which determine the bulk pair correlation function between the colloids, g bb (r), from which the depletion potential is obtained as βW = − ln g bb . Bulk inte-gral equation (IE) methods [19] and the "insertion" trick in density functional theory (DFT) [20,21,22,23] fall into this category. For larger size ratio, one would expect that the wellknown Derjaguin approximation [24,25,26] becomes accurate very quickly.…”

Section: Introductionmentioning

confidence: 99%

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Hard-sphere fluids in annular wedges: Density distributions and depletion potentials

et al. 2009

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We analyze the density distribution and the adsorption of solvent hard spheres in an annular slit formed by two large solute spheres or a large solute and a wall at close distances by means of fundamental measure density-functional theory, anisotropic integral equations, and simulations. We find that the main features of the density distribution in the slit are described by an effective two-dimensional system of disks in the vicinity of a central obstacle. This has an immediate consequence for the depletion force between the solutes ͑or the wall and the solute͒ since the latter receives a strong line-tension contribution due to the adsorption of the effective disks at the circumference of the central obstacle. For large solute-solvent size ratios, the resulting depletion force has a straightforward geometrical interpretation which gives a precise "colloidal" limit for the depletion interaction. For intermediate size ratios of 5-10 and high solvent packing fractions larger than 0.4, the explicit density-functional results show a deep attractive well for the depletion potential at solute contact, possibly indicating demixing in a binary mixture at low solute and high solvent packing fraction besides the occurrence of gelation and freezing.

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“…[24][25][26] By solving the OZ equations together with a closure relation one can calculate the various fluid correlation functions. It is well known that if one makes a diagrammatic expansion for the fluid correlation functions the hypernetted chain ͑HNC͒ closure approximation neglects a certain class of ͑bridge͒ diagrams which, taken together, is termed the bridge function.…”

Section: Introductionmentioning

confidence: 99%

Solvent mediated interactions close to fluid-fluid phase separation: Microscopic treatment of bridging in a soft-core fluid

Archer

Evans

Roth

et al. 2005

The Journal of Chemical Physics

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Using density functional theory we calculate the density profiles of a binary solvent adsorbed around a pair of big solute particles. All species interact via repulsive Gaussian potentials. The solvent exhibits fluid-fluid phase separation and for thermodynamic states near to coexistence the big particles can be surrounded by a thick adsorbed 'wetting' film of the coexisting solvent phase. On reducing the separation between the two big particles we find there can be a 'bridging' transition as the wetting films join to form a fluid bridge. The potential between the two big particles becomes long ranged and strongly attractive in the bridged configuration. Within our mean-field treatment the bridging transition results in a discontinuity in the solvent mediated force. We demonstrate that accounting for the phenomenon of bridging requires the presence of a non-zero bridge function in the correlations between the solute particles when our model fluid is described within a full mixture theory based upon the Ornstein-Zernike equations.

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Asymmetric binary mixtures with attractive forces: towards a quantitative description of the potential of mean force

Cited by 27 publications

References 38 publications

Solvent-mediated interactions between nanoparticles at fluid interfaces

Solvent-mediated interactions between nanoparticles at fluid interfaces

Hard-sphere fluids in annular wedges: Density distributions and depletion potentials

Solvent mediated interactions close to fluid-fluid phase separation: Microscopic treatment of bridging in a soft-core fluid

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