Abstract
Computer simulation of the adsorption of Lennard–Jones fluid in slitlike micropores with structured walls was performed by the Monte Carlo and molecular dynamic methods. The influence of pore width, temperature, pressure, and surface structure on the disjoining pressure was considered. Structural and energy characteristics of the surface affect significantly the value of the disjoining pressure. Among the surface structural characteristics, the important role is played by the number and localization of vacancy-type defects.
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Sizov, V.V., Piotrovskaya, E.M. & Brodskaya, E.N. Influence of a Surface Microheterogeneity on the Disjoining Pressure of Adsorbed Lennard–Jones Fluid. Computer Simulation. Colloid Journal 65, 772–777 (2003). https://doi.org/10.1023/B:COLL.0000009123.08960.4c
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DOI: https://doi.org/10.1023/B:COLL.0000009123.08960.4c