The structure of fluids confined to spherical pores: theory and simulation

Calleja, M.; North, A.N.; Powles, J.G.; Rickayzen, G.

doi:10.1080/00268979100101701

Cited by 76 publications

(36 citation statements)

References 46 publications

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“…Perturbative approaches usually focus on truncating this expansion at some reasonable order and evaluating the remaining direct correlation functions. 7 Recently Zhou and Ruckenstein 6 invoked the universality of the Helmholtz free-energy functional for systems with pairwise-additive interactions to show that Eq. ͑2͒ may be written much more concisely as…”

Section: A Forward Analysismentioning

confidence: 99%

Inverse density-functional theory as an interpretive tool for measuring colloid-surface interactions in dense systems

Bevan

Ford

2005

The Journal of Chemical Physics

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Recent advances in optical microscopy, such as total internal reflection and confocal scanning laser techniques, now permit the direct three-dimensional tracking of large numbers of colloidal particles both near and far from interfaces. A novel application of this technology, currently being developed by one of the authors under the name of diffusing colloidal probe microscopy ͑DCPM͒, is to use colloidal particles as probes of the energetic characteristics of a surface. A major theoretical challenge in implementing DCPM is to obtain the potential energy of a single particle in the external field created by the surface, from the measured particle trajectories in a dense colloidal system. In this paper we develop an approach based on an inversion of density-functional theory ͑DFT͒, where we calculate the single-particle-surface potential from the experimentally measured equilibrium density profile in a nondilute colloidal fluid. The underlying DFT formulation is based on the recent work of Zhou and Ruckenstein ͓Zhou and Ruckenstein, J. Chem. Phys. 112, 8079 ͑2000͔͒. For model hard-sphere and Lennard-Jones systems, using Monte Carlo simulation to provide the "experimental" density profiles, we found that the inversion procedure reproduces the true particle-surface-potential energy to an accuracy within typical DCPM experimental limitations ͑ϳ0.1kT͒ at low to moderate colloidal densities. The choice of DFT closures also significantly affects the accuracy.

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Section: A Forward Analysismentioning

confidence: 99%

Inverse density-functional theory as an interpretive tool for measuring colloid-surface interactions in dense systems

Bevan

Ford

2005

The Journal of Chemical Physics

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“…The intermolecular potential of solid wall captures the fluid molecules and forms a solid-like structure of several molecular layers. Many investigations have shown that the density distribution of motionless fluids [17][18][19]37] and surfactants have influences on the force of the solid wall [37][38][39] . To understand how the intermolecular potential affects the density distribution, Sarman [40] …”

Section: The Effect Of Force Between Fluid and Wall On Fluid Structurementioning

confidence: 99%

“…The investigations have shown that the interaction between gas and wall molecules has apparent influence on the slip length and the tangential momentum accommodation coefficient [15,16] . The interaction between the fluid molecule and the wall could lead to a solid-like structure of layering and oscillating density profiles close to the channel surface [17][18][19][20] . The microstructure of the interface also affects the transportations of momentum and energy on microscale and it was found that the roughness brings about a larger friction deviation from the conventional theory for gas flow in slip regime and the surface roughness apparently raises the friction coefficient [15] .…”

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confidence: 99%

Some effects of interface on fluid flow and heat transfer on micro- and nanoscale

Liang

2007

CHINESE SCI BULL

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The interfacial effects on flow and heat transfer on micro/nano scale are discussed in this paper. Different from bulk cases where interfaces can be simply treated as a boundary, the interfacial effects are not limited to the interface on a microscale but could extend into a significant, even the whole domain of the flow and heat transfer field when the characteristic size of the domain is close to the mean free path (MFP) of the carriers inside an object. Most of microscale thermal phenomena result from interfacial interactions. Any changes in the interactions between the object and boundary particles, such as the force between fluid and solid wall particles, microstructure of interfaces, could affect thermal properties, flow and heat transfer characteristics and hence change thermal conductivity, velocity and temperature profiles, friction coefficient and thermal radiative properties, etc. The properties of nanostructure or flow and heat transfer features of fluid in micro/nanostructures not only depend on themselves, but also on the interaction with the interface because the interface impact can go deep inside the flow. The same fluid, same channel geometry but different wall materials could have different flow and heat transport characteristics on microscale.

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“…, r n , Þ is the nth-order DCF. As a further approximation, we only retain up to third order in the density expansion and choose a practically simple form for the third-order DCF c ð3Þ ðr 1 , r 2 , r 3 , Þ following Calleja et al [16]. Then, it becomes…”

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confidence: 99%