The University of Tennessee
Computational Materials Research Group



Smart Nanoporous Adsorbents

The investigation of smart nanoporous adsorbents is a research project advised by David Keffer (Chemical and Biomolecular Engineering, University of Tennessee), Don Nicholson (ORNL) and Miguel Fuentes-Cabrera (ORNL). Ruichang Xiong (a Ph.D. student), Nethika Suraweera (a PhD Student), Dr. Jared Fern (a post-doctoral researcher), and J.P. Luna (a high school researcher) are modeling the adsorptive and diffusive behavior of modelcules, such as hydrogen and RDX (an explosive), in various Metal Organic Frameworks (MOFs).

The images on these pages were created by Dr. David Keffer, Ruichang Xiong, Nethika Suraweera and J.P. Luna. To view these images, you will require the free "Chime" Plug-in for your internet browser. (Here is a link to the chime download page.)

  • Adsorbates
  • RDX (1,3,5-Triazine, hexahydro-1,3,5-trinitro-; CAS Registry Number: 121-82-4)
  • TATP (triacetone triperoxide; C9H18O6; CAS Registry Number: 17088-37-8)
  • Adsorbents
  • IRMOF-1
  • IRMOF-2
  • IRMOF-3
  • IRMOF-7
  • IRMOF-8
  • IRMOF-10
  • IRMOF-10 with NH2 at 2 position
  • IRMOF-10 with NH2 at 3 position
  • IRMOF-10 with Br at 2 position
  • IRMOF-10 with Br at 3 position
  • IRMOF-14
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