Abstract
From pure experimental isotherms and ideal adsorbed solution theory (IAST), we confirmed a recent report that Co-MOF-74 provides the highest Xe uptake as well as the highest Xe/Kr selectivity among the three M-MOF-74 series (M = Co, Mg, and Zn). From breakthrough experiments, we then showed the first demonstration of the potential of Co-MOF-74 for Xe/Kr separations under mixture flow conditions. Remarkably, the experimental breakthrough curves for three consecutive cycles are essentially unchanged even if the column was regenerated under helium flows at room temperature between each cycle. Isosteric heat of adsorption (Q st ) for Xe, adsorbed Xe molecules per metal, and binding strengths and electronic density of states (DOS) analyses from first principles calculations all indicate that unsaturated Co 2+ sites attract Xe more strongly than do unsaturated Mg 2+ and Zn 2+ sites. The DOS analyses show that the d orbital of the Co 2+ is the main contributors for the strong interaction. These results suggest that Co-MOF-74 is a promising adsorbent for separations of Xe and Kr.
| Original language | English |
|---|---|
| Pages (from-to) | 284-291 |
| Number of pages | 8 |
| Journal | Microporous and Mesoporous Materials |
| Volume | 236 |
| DOIs | |
| Publication status | Published - 2016 Dec 1 |
Fingerprint
All Science Journal Classification (ASJC) codes
- Chemistry(all)
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
Cite this
}
Selective dynamic separation of Xe and Kr in Co-MOF-74 through strong binding strength between Xe atom and unsaturated Co 2+ site . / Lee, Seung Joon; Kim, Ki Chul; Yoon, Tae Ung; Kim, Min Bum; Bae, Youn-Sang.
In: Microporous and Mesoporous Materials, Vol. 236, 01.12.2016, p. 284-291.Research output: Contribution to journal › Article
TY - JOUR
T1 - Selective dynamic separation of Xe and Kr in Co-MOF-74 through strong binding strength between Xe atom and unsaturated Co 2+ site
AU - Lee, Seung Joon
AU - Kim, Ki Chul
AU - Yoon, Tae Ung
AU - Kim, Min Bum
AU - Bae, Youn-Sang
PY - 2016/12/1
Y1 - 2016/12/1
N2 - From pure experimental isotherms and ideal adsorbed solution theory (IAST), we confirmed a recent report that Co-MOF-74 provides the highest Xe uptake as well as the highest Xe/Kr selectivity among the three M-MOF-74 series (M = Co, Mg, and Zn). From breakthrough experiments, we then showed the first demonstration of the potential of Co-MOF-74 for Xe/Kr separations under mixture flow conditions. Remarkably, the experimental breakthrough curves for three consecutive cycles are essentially unchanged even if the column was regenerated under helium flows at room temperature between each cycle. Isosteric heat of adsorption (Q st ) for Xe, adsorbed Xe molecules per metal, and binding strengths and electronic density of states (DOS) analyses from first principles calculations all indicate that unsaturated Co 2+ sites attract Xe more strongly than do unsaturated Mg 2+ and Zn 2+ sites. The DOS analyses show that the d orbital of the Co 2+ is the main contributors for the strong interaction. These results suggest that Co-MOF-74 is a promising adsorbent for separations of Xe and Kr.
AB - From pure experimental isotherms and ideal adsorbed solution theory (IAST), we confirmed a recent report that Co-MOF-74 provides the highest Xe uptake as well as the highest Xe/Kr selectivity among the three M-MOF-74 series (M = Co, Mg, and Zn). From breakthrough experiments, we then showed the first demonstration of the potential of Co-MOF-74 for Xe/Kr separations under mixture flow conditions. Remarkably, the experimental breakthrough curves for three consecutive cycles are essentially unchanged even if the column was regenerated under helium flows at room temperature between each cycle. Isosteric heat of adsorption (Q st ) for Xe, adsorbed Xe molecules per metal, and binding strengths and electronic density of states (DOS) analyses from first principles calculations all indicate that unsaturated Co 2+ sites attract Xe more strongly than do unsaturated Mg 2+ and Zn 2+ sites. The DOS analyses show that the d orbital of the Co 2+ is the main contributors for the strong interaction. These results suggest that Co-MOF-74 is a promising adsorbent for separations of Xe and Kr.
UR - http://www.scopus.com/inward/record.url?scp=84987956538&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84987956538&partnerID=8YFLogxK
U2 - 10.1016/j.micromeso.2016.09.005
DO - 10.1016/j.micromeso.2016.09.005
M3 - Article
AN - SCOPUS:84987956538
VL - 236
SP - 284
EP - 291
JO - Microporous and Mesoporous Materials
JF - Microporous and Mesoporous Materials
SN - 1387-1811
ER -