Density functional theory of adsorption in pillared slit-like pores

We propose a density functional theory to describe adsorption of Lennard–Jones fluid in pillared slit like pores. Specifically, the pillars are built of chains that are bonded by their ends to the opposite pore walls. The approach we propose combines theory of quenched–annealed systems and theory of nonuniform fluids involving chain molecules. We compare the results of theoretical predictions with grand canonical ensemble Monte Carlo simulations and compute theoretical capillary condensation phase diagrams for several model systems.

Graphical abstractPore filled with an adsorbate (violet spheres). Blue spheres are the segments of pillars.Figure optionsDownload full-size imageDownload as PowerPoint slide