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

被引：30

作者：

Zhang, Zhijuan ^{[1
,2
]}

Liu, Jinchen ^{[3
]}

Li, Zhong ^{[1
]}

Li, Jing ^{[2
]}

机构：

[1] S China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510641, Guangdong, Peoples R China

[2] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA

[3] Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15260 USA

来源：

DALTON TRANSACTIONS | 2012年 / 41卷 / 14期

关键词：

METAL-ORGANIC FRAMEWORKS; ZEOLITIC-IMIDAZOLATE FRAMEWORKS; DENSITY-FUNCTIONAL THEORY; UNITED-ATOM DESCRIPTION; MOLECULAR SIMULATION; CARBON-DIOXIDE; ACTIVATED CARBON; TRANSFERABLE POTENTIALS; ADSORBENT HETEROGENEITY; PHASE-EQUILIBRIA;

D O I：

10.1039/c2dt12301k

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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-NH2)(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 CO2-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

引用

页码：4232 / 4238

页数：7

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