Experimental and theoretical investigations on the MMOF selectivity for CO2 vs. N2 in flue gas mixtures.

نویسندگان

  • Zhijuan Zhang
  • Jinchen Liu
  • Zhong Li
  • Jing Li
چکیده

The adsorption capacity and selectivity of carbon dioxide and nitrogen at 298 K have been evaluated for two series of MMOFs built on metal paddle-wheel building units, including non-interpenetrated Zn(BDC)(TED)(0.5) (1), Zn(BDC-OH)(TED)(0.5) (2), Zn(BDC-NH(2))(TED)(0.5) (3), and interpenetrated Zn(BDC)(BPY)(0.5) (4), Zn(BDC)(DMBPY)(0.5) (5), Zn(NDC)(BPY)(0.5) (6) and Zn(NDC)(DMBPY)(0.5) (7) framework structures. The ideal adsorbed solution theory (IAST) has been employed to predict the adsorption selectivity of CO(2)-N(2) binary mixtures on all seven MMOFs using single-component experimental adsorption isotherm data. The applicability of IAST to these systems is verified by GCMC simulations performed on both single- and multi-component gases.

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عنوان ژورنال:
  • Dalton transactions

دوره 41 14  شماره 

صفحات  -

تاریخ انتشار 2012