Using a density functional method we study how the correlations between particles adsorbed in neighboring pores, forming a network of slit-like pores, influence the capillary condensation and the structure of adsorbed Lennard-Jones fluid. The calculations indicate that if the distance between two po
Capillary Condensation of Associating Fluids in Slit-Like Pores: A Density Functional Theory
✍ Scribed by Krzysztof Stepniak; Andrzej Patrykiejew; Zofia Sokołowska; Stefan Sokołowski
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 130 KB
- Volume
- 214
- Category
- Article
- ISSN
- 0021-9797
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✦ Synopsis
Adsorption of associating particles interacting via the Lennard-Jones potential in slit-like pores is studied using the density functional theory. A model of association with one site per particle is considered. Capillary phase diagrams for three values of the association energy are evaluated. We show that the association shifts the entire diagram toward higher temperatures. The critical average densities of the confined fluid, however, are almost independent of the association energy. Our results also demonstrate that the association significantly influences the layering transitions.
📜 SIMILAR VOLUMES
geneous AFs) are important for the description of adsorp-The solvation force for an associating fluid inside a slit-like pore tion, microreactor chemistry, heterogeneous catalysis, and is studied by using a singlet theory of inhomogeneous fluids. A other chemical problems. Geometrical constraints le
Density functional theory is applied to a Lennard-Jones fluid near a single hard wall and in a slit formed by two walls. We use some simplified versions of the Weeks-Chandler-Andersen (WCA) and the Barker-Henderson (BH) theories. Only the most crude mean field version of the WCA theory, in which the