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Molecular simulation study of triangle-well fluids confined in slit pores
, P. Behera, J. Adhikari
Published in Taylor and Francis Ltd.
Volume: 112
Issue: 15
Pages: 1969 - 1978
Grand canonical Monte Carlo simulations are used to study the behaviour of triangle-well (TW) fluids with variable well widths confined inside slit pores. The effect of individual factors influencing the properties of confined fluids such as fluid-fluid interactions, pore size and pore wall-fluid interactions are obtained using simulations as it is difficult to experimentally determine the same. An interesting observation of this study is that inside the narrow pore of slit height h* = 5 at the high-pressure condition of P* = 0.8, for the TW fluid with long-range attraction or for the fluid at a low temperature for even a short-range attraction, the density profiles show layering such that there is a sticking tendency of the particles at centre, while there is a depletion of particles near the wall (as the layers at the centre have higher density peak heights than near the walls). © 2014 Taylor & Francis.
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JournalData powered by TypesetMolecular Physics
PublisherData powered by TypesetTaylor and Francis Ltd.