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- W2511492803 abstract "Oversolubility, which corresponds to large apparent gas solubilities in liquids confined in nanoporous solids, has been proposed as a means to develop novel adsorption, phase separation, or catalytic processes. We report a molecular simulation study to help design such hybrid adsorbents consisting of a solvent confined in host nanoporous materials. Water is selected as the confined solvent because of its ubiquity in industrial applications, while N2, CH4, and CO2 are selected as they allow probing the effect of specific molecular interaction and polarity. For each system, we consider a zeolite, an ordered mesoporous silica, and a metal–organic framework as the confining host as they present different morphologies, porosities, and surface chemistries. We show that oversolubility is always observed because the apparent solubility in these materials surpasses the bulk solubility. In all cases, oversolubility is an enhanced bulklike solubility in which solubility is favored in the regions of low water density..." @default.
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- W2511492803 date "2015-09-04" @default.
- W2511492803 modified "2023-10-13" @default.
- W2511492803 title "Solubility of Gases in Water Confined in Nanoporous Materials: ZSM-5, MCM-41, and MIL-100" @default.
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- W2511492803 doi "https://doi.org/10.1021/acs.jpcc.5b06660" @default.
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