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Stochastic Analysis of Capillary Condensation in Disordered Mesopores

Abstract

Most mesoporous materials of practical interest are inherently disordered, which has a significant impact on the condensation and evaporation of vapours in their pores. Traditionally, the effect of disorder is theoretically analyzed in a perturbative approach whereby slight elements of disorder (constriction, corrugation) are added to geometrically ideal pores. We propose an alternative approach, which consists in using a stochastic geometrical model to describe both the porous material and the condensate within the pores. This is done through a multiphase generalisation of the standard Gaussian random field model of disordered materials. The model parameters characterising the condensate provide a low-dimensional approximation of its configuration space, and we use a Derjaguin-Broekhoff-de Boer approximation to calculate the free-energy landscape. Our analysis notably questions the existence of vapour-like metastable states in realistically disordered mesoporous materials. Beyond capillary condensation, our general methodology is applicable to a broad array of confined phenomena.

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Publication details

The article was received on 13 Mar 2018, accepted on 16 Apr 2018 and first published on 16 Apr 2018


Article type: Paper
DOI: 10.1039/C8CP01628C
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Stochastic Analysis of Capillary Condensation in Disordered Mesopores

    C. J. Gommes and A. P. Roberts, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP01628C

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