Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties
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In this work, a systematic molecular simulation study was performed to compare the separation of CO2/N2 and CH4/N2 mixtures in two different classes of nanoporous materials, zeolites, and metal‚àíorganic frameworks (MOFs). For this purpose, three zeolites ...
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This thesis is concerned with supramolecular architectures assembled at metal surfaces. The investigations pursued two objectives. On the one hand, the focus was placed on the fabrication of low-dimensional surface-supported network structures by applying ...
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This paper presents the evaluation of different adsorbents for the improvement of the performances of a gas preconcentrator by targeting the adsorption of a large range of volatiles organics compounds (VOCs) The objectives of this work are to find the adeq ...
This paper presents the optimization of a micro gas preconcentrator based on a micro-channel in porous and non-porous silicon filled with an adequate adsorbent. This micro gas preconcentrator is both applicable in the fields of atmospheric pollution monito ...
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Sequential adsorption of N atoms on a MgO(100) supported Fe-7 cluster is studied using a density functional approach. For the number of adsorbates varying between one and six, the most favorable adsorption geometries are determined and the corresponding po ...
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