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Matusewicz M, Patrykiejew A, Sokołowski S, et al. Density functional description of adsorption in slitlike pores modified with chain molecules: a simple model for pillaredlike materials. J Chem Phys. 2007;127(17):174707doi: 10.1063/1.2780890.
Matusewicz, M., Patrykiejew, A., Sokołowski, S., & Pizio, O. (2007). Density functional description of adsorption in slitlike pores modified with chain molecules: a simple model for pillaredlike materials. The Journal of chemical physics, 127(17), 174707. https://doi.org/10.1063/1.2780890
Matusewicz, M, et al. "Density functional description of adsorption in slitlike pores modified with chain molecules: a simple model for pillaredlike materials." The Journal of chemical physics vol. 127,17 (2007): 174707. doi: https://doi.org/10.1063/1.2780890
Matusewicz M, Patrykiejew A, Sokołowski S, Pizio O. Density functional description of adsorption in slitlike pores modified with chain molecules: a simple model for pillaredlike materials. J Chem Phys. 2007 Nov 07;127(17):174707. doi: 10.1063/1.2780890. PMID: 17994842.
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J Chem Phys. 2007 Nov 07;127(17):174707. doi: 10.1063/1.2780890.

Density functional description of adsorption in slitlike pores modified with chain molecules: a simple model for pillaredlike materials.

The Journal of chemical physics

M Matusewicz, A Patrykiejew, S Sokołowski, O Pizio

Affiliations

  1. Department for the Modeling of Physico-Chemical Processes, Maria Curie-Sk?odowska University, 20-031 Lublin, Poland.

PMID: 17994842 DOI: 10.1063/1.2780890

Abstract

We propose a density functional theory to describe adsorption of Lennard-Jones fluid in slitlike pores modified by chain molecules. Specifically, the chains are bonded by their ends to the opposite pore walls, so they can form pillaredlike structure. Two models are studied. In the first model, the nonterminating segments of chains can change their configuration inside the pore upon adsorption of spherical species. In the second model, the chains configuration remains fixed, so that the system is similar to a nonuniform quenched-annealed mixture. We study capillary condensation of fluid species inside such modified pores and compare the results obtained for two models.

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