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

共 67 条

[41] Evaluating metal-organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption [J].

Mason, Jarad A. ;

Sumida, Kenji ;

Herm, Zoey R. ;

Krishna, Rajamani ;

Long, Jeffrey. R. .

ENERGY & ENVIRONMENTAL SCIENCE, 2011, 4 (08) :3030-3040

[42] Metal-organic frameworks with exceptionally high capacity for storage of carbon dioxide at room temperature [J].

Millward, AR ;

Yaghi, OM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (51) :17998-17999

[43] A BURDEN BEYOND BEARING [J].

Monastersky, Richard .

NATURE, 2009, 458 (7242) :1091-1094

[44] Effects of molecular siting and adsorbent heterogeneity on the ideality of adsorption equilibria [J].

Murthi, M ;

Snurr, RQ .

LANGMUIR, 2004, 20 (06) :2489-2497

[45] THERMODYNAMICS OF MIXED-GAS ADSORPTION [J].

MYERS, AL ;

PRAUSNITZ, JM .

AICHE JOURNAL, 1965, 11 (01) :121-+

[46] A New Two-Constant Equation of State [J].

PENG, D ;

ROBINSON, DB .

INDUSTRIAL & ENGINEERING CHEMISTRY FUNDAMENTALS, 1976, 15 (01) :59-64

[47] Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks [J].

Phan, Anh ;

Doonan, Christian J. ;

Uribe-Romo, Fernando J. ;

Knobler, Carolyn B. ;

O'Keeffe, Michael ;

Yaghi, Omar M. .

ACCOUNTS OF CHEMICAL RESEARCH, 2010, 43 (01) :58-67

[48] Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen [J].

Potoff, JJ ;

Siepmann, JI .

AICHE JOURNAL, 2001, 47 (07) :1676-1682

[49] New Microporous Metal-Organic Framework Demonstrating Unique Selectivity for Detection of High Explosives and Aromatic Compounds [J].

Pramanik, Sanhita ;

Zheng, Chong ;

Zhang, Xiao ;

Emge, Thomas J. ;

Li, Jing .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 133 (12) :4153-4155

[50] ON THE THEORETICAL ORIGIN AND APPLICABILITY OF THE POTENTIAL-THEORY APPROACH TO PREDICT MIXED-GAS ADSORPTION ON SOLID-SURFACES FROM SINGLE-GAS ADSORPTION-ISOTHERMS [J].

RUDZINSKI, W ;

NIESZPOREK, K ;

MOON, H ;

RHEE, HK .

CHEMICAL ENGINEERING SCIENCE, 1995, 50 (16) :2641-2660

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