Issue 8, 2011

Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption

Abstract

Two representative metal–organic frameworks, Zn4O(BTB)2 (BTB3 = 1,3,5-benzenetribenzoate; MOF-177) and Mg2(dobdc) (dobdc4− = 1,4-dioxido-2,5-benzenedicarboxylate; Mg-MOF-74, CPO-27-Mg), are evaluated in detail for their potential use in post-combustion CO2 capture via temperature swing adsorption (TSA). Low-pressure single-component CO2 and N2 adsorption isotherms were measured every 10 °C from 20 to 200 °C, allowing the performance of each material to be analyzed precisely. In order to gain a more complete understanding of the separation phenomena and the thermodynamics of CO2 adsorption, the isotherms were analyzed using a variety of methods. With regard to the isosteric heat of CO2 adsorption, Mg2(dobdc) exhibits an abrupt drop at loadings approaching the saturation of the Mg2+ sites, which has significant implications for regeneration in different industrial applications. The CO2/N2 selectivities were calculated using ideal adsorbed solution theory (IAST) for MOF-177, Mg2(dobdc), and zeolite NaX, and working capacities were estimated using a simplified TSA model. Significantly, MOF-177 fails to exhibit a positive working capacity even at regeneration temperatures as high as 200 °C, while Mg2(dobdc) reaches a working capacity of 17.6 wt % at this temperature. Breakthrough simulations were also performed for the three materials, demonstrating the superior performance of Mg2(dobdc) over MOF-177 and zeolite NaX. These results show that the presence of strong CO2 adsorption sites is essential for a metal–organic framework to be of utility in post-combustion CO2 capture via a TSA process, and present a methodology for the evaluation of new metal–organic frameworks via analysis of single-component gas adsorption isotherms.

Graphical abstract: Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption

Supplementary files

Article information

Article type
Paper
Submitted
12 May 2011
Accepted
20 Jun 2011
First published
12 Jul 2011

Energy Environ. Sci., 2011,4, 3030-3040

Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption

J. A. Mason, K. Sumida, Z. R. Herm, R. Krishna and Jeffrey. R. Long, Energy Environ. Sci., 2011, 4, 3030 DOI: 10.1039/C1EE01720A

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