DOI: https://doi.org/10.30970/jps.03.164
THE STRUCTURE OF A LENNARD-JONES FLUID IN A SLIT-LIKE PORE FILLED WITH RANDOM MATRIX FROM INTEGRAL EQUATION THEORY AND FROM MONTE CARLO SIMULATIONS
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Journal of Physical Studies 3(2), 164–168 (1999)
DOI: https://doi.org/10.30970/jps.03.164 THE STRUCTURE OF A LENNARD-JONES FLUID IN A SLIT-LIKE PORE FILLED WITH RANDOM MATRIX FROM INTEGRAL EQUATION THEORY AND FROM MONTE CARLO SIMULATIONS |
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M. Borówko1, O. Pizio2, W. Rżysko1,
S. Soko\lowski1
1Department for the Modelling of Physico-Chemical Processes,
Faculty of Chemistry, MSC University, 200-31 Lublin, Poland
2Instituto de Química de la UNAM, Circuito Exterior,
Coyoacán 04510, México D.F.
The confinement of a Lennard–Jones fluid in a slit–like pore filled with a random hard matrix is studied using the {inhomogeneous} Ornstein–Zernike equation and grand canonical Monte Carlo simulations. Associative matrix–fluid interactions are considered. Density profiles and pair distribution functions are reported. The agreement of the theoretical and simulation results is satisfactory.