期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 20, 期 19, 页码 13646-13659出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cp01628c
关键词
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资金
- Patrimoine de l'Universite de Liege
- F.R.S.-FNRS
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 of 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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