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Confined fluids in a Janus pore: influence of surface asymmetry on structure and solvation forces

Malani, Ateeque and Ayappa, KG (2012) Confined fluids in a Janus pore: influence of surface asymmetry on structure and solvation forces. In: Molecular Simulation, 38 (13). pp. 1114-1123.

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Official URL: http://dx.doi.org/10.1080/08927022.2012.696111


Density distribution, fluid structure and solvation forces for fluids confined in Janus slit-shaped pores are investigated using grand canonical Monte Carlo simulations. By varying the degree of asymmetry between the two smooth surfaces that make up the slit pores, a wide variety of adsorption situations are observed. The presence of one moderately attractive surface in the asymmetric pore is sufficient to disrupt the formation of frozen phases observed in the symmetric case. In the extreme case of asymmetry in which one wall is repulsive, the pore fluid can consist of a frozen contact layer at the attractive surface for smaller surface separations (H) or a frozen contact layer with liquid-like and gas-like regions as the pore width is increased. The superposition approximation, wherein the solvation pressure and number density in the asymmetric pores can be obtained from the results on symmetric pores, is found to be accurate for H > 4 sigma(ff), where sigma(ff) is the Lennard-Jones fluid diameter and within 10% accuracy for smaller surface separations. Our study has implications in controlling stick slip and overcoming static friction `stiction' in micro and nanofluidic devices.

Item Type: Journal Article
Publication: Molecular Simulation
Publisher: Taylor and Francis Ltd
Additional Information: Copyright of this article belongs to Taylor and Francis Ltd.
Keywords: Janus Interface; Solvation Forces; Monte Carlo Simulations; Confined Fluids
Department/Centre: Division of Mechanical Sciences > Chemical Engineering
Date Deposited: 15 Feb 2013 09:26
Last Modified: 15 Feb 2013 09:26
URI: http://eprints.iisc.ac.in/id/eprint/45358

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