Adsorption and Separation of Xylene Isomers: CPO-27-Ni vs HKUST-1 vs NaY

被引：81
作者：
Peralta, David [1 ,2 ]
Barthelet, Karin [1 ]
Perez-Pellitero, Javier [1 ]
Chizallet, Celine [1 ]
Chaplais, Gerald [2 ]
Simon-Masseron, Angelique [2 ]
Pirngruber, Gerhard D. [1 ]
机构：
[1] IFP Energies Nouvelles, F-69360 Solaize, France
[2] ENSCMu, Inst Sci Mat Mulhouse IS2M, Equipe Mat Porosite Controlee MPC, UHA,LRC CNRS 7228, F-68093 Mulhouse, France
来源：
JOURNAL OF PHYSICAL CHEMISTRY C | 2012年 / 116卷 / 41期
关键词：
METAL-ORGANIC FRAMEWORKS; SELECTIVE ADSORPTION; PHASE ADSORPTION; P-XYLENE; ETHYLBENZENE; BAX; MIXTURES; HYDROGEN; ZEOLITE; SITES;
D O I：
10.1021/jp306828x
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The separation of xylene isomers is one of the most difficult separations in petrochemistry. Adsorbents have to preferentially adsorb para or meta isomers, but there are only a few zeolites which fulfill the criteria of selectivity and adsorption capacity. In this study, we evaluate two metal-organic frameworks (MOF) with coordinatively unsaturated metal sites (cus), i.e., CPO-27-Ni and 1-IKUST-1, in the adsorption and separation of p-xylene, m-xylene, and o-xylene in the gas phase. The results are compared with those of the zeolite NaY. CPO-27-Ni and HKUST-1 are both ortho-selective adsorbents, but molecular simulations indicate that the reasons for the ortho selectivity are quite different. The CPO-27-Ni structure is intrinsically ortho selective, and the ortho selectivity is further enhanced by electrostatic effects. HKUST-1, on the other hand, is intrinsically (weakly) para selective but the para selectivity is overcompensated by electrostatic effects, which overall leads to a slight preference for the ortho isomer adsorption. The insights in the adsorption behavior of xylenes that are provided by this study provide useful guidelines in the quest for para-selective MOFs materials.
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页码：21844 / 21855
页数：12
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