High adsorption capacities and two-step adsorption of polar adsorbates on copper-benzene-1,3,5-tricarboxylate metal-organic framework

Tom R.C. Van Assche, Tim Duerinck, Juan José Gutiérrez Sevillano, Sofia Calero, Gino V. Baron, Joeri F.M. Denayer

Research output: Contribution to journalArticleAcademicpeer-review

56 Citations (Scopus)

Abstract

This work discusses the adsorption of polar and apolar molecules on the copper-benzene-1,3,5-tricarboxylate (Cu-BTC) metal-organic framework. Vapor phase adsorption isotherms of various polar adsorbates such as methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 1-hexanol, water, acetone, acetonitrile, tetrahydrofuran, and N,N-dimethylformamide, as well as some apolar adsorbates such as n-hexane, n-heptane, m-xylene, and cyclohexane, on the Cu-BTC framework are presented. We show that water exposure of the Cu-BTC framework has an adverse effect on the uptake capacity. However, with minimized water exposure, we find high adsorption capacities, exceeding 0.65 cm 3/g for all adsorbates with the exception of water, and we show that small polar adsorbates exhibit a two-step adsorption behavior. This behavior is further studied using molecular simulation and proposed to occur due to the presence of the various Cu-BTC cages. The cages containing the exposed coordinatively unsaturated copper sites have a more polar character, while the other cages behave in a more apolar way, causing a two-step adsorption behavior depending on the character of the adsorbate.

Original languageEnglish
Pages (from-to)18100-18111
Number of pages12
JournalJournal of Physical Chemistry C
Volume117
Issue number35
DOIs
Publication statusPublished - 5 Sep 2013
Externally publishedYes

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