Energetics of confinement of n-hexane in Ca-Na ion exchanged zeolite A

Hui Sun, Di Wu, Xiaofeng Guo, Benxian Shen, Jichang Liu, Alexandra Navrotsky

Research output: Contribution to journalArticlepeer-review

17 Scopus citations


Study of the energetics of confinement of small organic molecules in microporous frameworks provides essential information for rational design and application of functional porous materials. Using immersion calorimetry and temperature-programmed desorption coupled with mass spectroscopy, we describe the complex guest-host interactions of a nonpolar organic molecule (n-hexane) with a series of calcium-exchanged zeolite A materials whose pore accessibility was modified by varying the calcium content to achieve inaccessible, partially accessible, and fully accessible central cavities for n-hexane molecules. The overall magnitude and trend with the pore size of n-hexane-zeolite A interactions have been determined. In addition, the contributions to energetics from the external surface (ΔHwet), tetrahedral framework (ΔHg-h), and adjacent n-hexane molecules (ΔHg-g) were separated, quantified, and interpreted. (Figure Presented).

Original languageEnglish (US)
Pages (from-to)25590-25596
Number of pages7
JournalJournal of Physical Chemistry C
Issue number44
StatePublished - Nov 6 2014
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films


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