On the nature of disjoining pressure oscillations in fluid films

Antonchenko, V.Ya.; Ilyin, Valery; Makovsky, N.N.; Pavlov, A. N.; Sokhan, V. P.

doi:10.1080/00268978400101261

Cited by 63 publications

(34 citation statements)

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“…simulations have confirmed these findings [6], [7], [9], [11] and oscillatory forces in real systems have been directly measured [31], [32]. Since the solvation force contributes directly to the cavity work required to insert a solute particle in a pore we can expect that oscillations in this force will correlate with oscillations in the solute partition coefficient.…”

Section: Equilibrium Propertiessupporting

confidence: 71%

Computer simulation of moderately dense hard-sphere fluids and mixtures in microcapillaries

MacElroy

Suh

1987

Molecular Physics

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Grand canonical ensemble Monte Carlo and molecular dynamics simulations of partitioning and diffusion of rigid sphere fluids and mixtures in cylindrical pores have been carried out for a wide range of pore sizes. The formal linear diffusion theory employed in an earlier paper is extended to binary mixtures and is used to analyse the simulation data. The results obtained show that continuum-mechanical theory may be used to quantitatively predict the diffusion fluxes of small, nonadsorbing solutes as well as macromolecular solutes in micropores as long as the sum of the solute and solvent particle sizes is less than the size of the pore. In addition, the existence of viscous slip for dense fluids observed earlier is confirmed, and it is shown that selective partitioning of solutes in simple fluid mixtures can lead to solvent diffusion barriers in very small pores.

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Section: Equilibrium Propertiessupporting

confidence: 71%

Computer simulation of moderately dense hard-sphere fluids and mixtures in microcapillaries

MacElroy

Suh

1987

Molecular Physics

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“…A secondary depletion zone, brought about by the exclusion interaction with particles in the enhancement zone, first appears in the ~b 3 calculation. The density profile of particles between confining plates is given by Antonchenko et al [26] using Monte-Carlo method, and also analytically by Glandt [27]. Glandt gave the density between plates in a virial expansion to third order, but not for the crucially important region of a < h < 20-.…”

Section: Discussionmentioning

confidence: 99%

Depletion force in colloidal systems

Mao

Cates

Lekkerkerker

1995

Physica A: Statistical Mechanics and its Applications

379

305

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The entropic depletion force, in colloids, arises when large particles are placed in a solution of smaller ones, and sterically constrained to avoid them. We calculate the interaction between large spheres (of radius R) in a dilute solution of mutually avoiding small spheres (of diameter a ,~ R and volume fraction ~b), to third order in ~b. In addition to the well-known attractive force for 0 < h < a, we find a repulsive barrier at larger separations, and beyond that a secondary minimum. Except for unusually large size ratios (perhaps abetted by relatively high density qS), these features of the interaction potential are too small, compared to kBT, for kinetic stabilization (arising from the barrier) or flocculation into the secondary minimum, to be widespread, although such effects are possible in principle. For feasible size ratios, the same features should have observable consequences for the radial distribution function of the large spheres. Such effects can be viewed as precursors, at low density, of liquidlike structuring (solvation forces) expected at higher q~. Our third order calculation gives satisfactory agreement with a recent computer simulation at moderate density and size ratio (2R/a = 10; ~b = 7z/15).

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“…Numerical methods for solving these integral equations for a hardsphere fluid are described in w 4. Quantitative results are discussed and compared with simulation results [4,5] in w 5. For simplicity, we focus in this paper on a one-species hard-sphere system of particles inside hard spherical and slit pores.…”

Section: Introductionmentioning

confidence: 97%

“…Recently, the structure and thermodynamics of fluids inside micropores have attracted wide attention [1][2][3][4][5][6][7][8][9][10][11]. This is because such systems are not only related to various separation processes such as adsorption, exclusion chromatography and membrane transport, but they also exhibit a richer variety of thermodynamic [1] and structural behaviour than bulk fluid systems.…”

Section: Introductionmentioning

confidence: 99%

“…Computer simulations of a spherical [4], slit-like [5,6] and cylindrical pore [1][2][3][4][5][6][7]8] have been carried out for hard-sphere [4, Y. Zhou and G. Stell 5,7] and Lennard-Jones fluids [6,8]. Integral-equation theories for fluids inside a slit pore have been investigated by means of a BBGKY hierarchy with a kind of superposition approximation [5] (using a method in which both bulk and average densities have to be inputted), as well as a shielding approximation [9], in which the resulting density profile is a product of the density profile of a single-wall and an exponential factor. In this approximation for a hard-sphere fluid, the contact value of particles at the surface of a slit pore is the same as the contact value of hard spheres in contact with a single wall, which is not necessarily a good approximation for a small pore.…”

Section: Introductionmentioning

confidence: 99%

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Fluids inside a pore—an integral-equation approach

Zhou

Stell

1989

Molecular Physics

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Integral equations for density profiles of fluids inside a slit pore and a spherical pore are derived using an Ornstein-Zernike system of equations. For a hard-sphere fluid we specialize to a Percus-Yevick (PY) closure and a hypernetted-chain (HNC) closure, and also consider the BBGKY hierarchy with a kind of superposition-approximation (SA) closure. The bulk correlation needed in the OZ system of equations is obtained from the PY approximation. These approximations, which will be referred to as the PY/PY and the HNC/PY approximations and the BBGKY-SA scheme, are applied to a pure hard-sphere fluid. It is shown that the BBGKY-SA equation is the same as the HNC equation used with a simple approximation for bulk direct correlation functions. The density profiles, partition coefficients, and solvation forces for the hard-sphere fluids inside a slit and a spherical pore are calculated and compared with simulation results. It turns out that the PY/PY approximation gives us a better overall agreement with simulations than either the HNC/PY approximation or the BBGKY-SA scheme in the slit-pore system. However, the PY/PY approximation yields some unphysical results for high concentrations and certain values of the ratio of spherical-pore diameter to hard-sphere diameter, while the HNC/PY approximation is the best among the three approximations in the spherical-pore system when compared with simulation results. A non-local density-functional form of closure, introduced by Blum and Stell for the flat-wall problem, is also discussed, but not assessed numerically.

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On the nature of disjoining pressure oscillations in fluid films

Cited by 63 publications

References 50 publications

Computer simulation of moderately dense hard-sphere fluids and mixtures in microcapillaries

Computer simulation of moderately dense hard-sphere fluids and mixtures in microcapillaries

Depletion force in colloidal systems

Fluids inside a pore—an integral-equation approach

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