Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks

Youn Sang Bae; Karen L. Mulfort; Houston Frost; Patrick Ryan; Sudeep Punnathanam; Linda J Broadbelt; Joseph T Hupp; Randall Q Snurr

doi:10.1021/la800555x

Separation of CO₂ from CH₄ using mixed-ligand metal-organic frameworks

Youn Sang Bae, Karen L. Mulfort, Houston Frost, Patrick Ryan, Sudeep Punnathanam, Linda J Broadbelt, Joseph T Hupp, Randall Q Snurr

Research output: Contribution to journal › Article › peer-review

553 Scopus citations

Abstract

The adsorption of CO₂ and CH₄ in a mixed-ligand metal-organic framework (MOP) Zn₂(NDC)₂(DPNI) [NDC = 2,6-naphthalenedicarboxylate, DPNI = N,N′-di-(4-pyridyl)-1,4,5,8- naphthalene tetracarboxydiimide] was investigated using volumetric adsorption measurements and grand canonical Monte Carlo (GCMC) simulations. The MOF was synthesized by two routes: first at 80 °C for two days with conventional heating, and second at 120 °C for 1 h using microwave heating. The two as-synthesized samples exhibit very similar powder X-ray diffraction patterns, but the evacuated samples show differences in nitrogen uptake. From the single-component CO₂ and CH₄ isotherms, mixture adsorption was predicted using the ideal adsorbed solution theory (IAST). The microwave sample shows a selectivity of ∼30 for CO₂ over CH₄, which is among the highest selectivities reported for this separation. The applicability of IAST to this system was demonstrated by performing GCMC simulations for both single-component and mixture adsorption.

Original language	English (US)
Pages (from-to)	8592-8598
Number of pages	7
Journal	Langmuir
Volume	24
Issue number	16
DOIs	https://doi.org/10.1021/la800555x
State	Published - Aug 19 2008

ASJC Scopus subject areas

Condensed Matter Physics
General Materials Science
Spectroscopy
Surfaces and Interfaces
Electrochemistry

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title = "Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks",

abstract = "The adsorption of CO2 and CH4 in a mixed-ligand metal-organic framework (MOP) Zn2(NDC)2(DPNI) [NDC = 2,6-naphthalenedicarboxylate, DPNI = N,N′-di-(4-pyridyl)-1,4,5,8- naphthalene tetracarboxydiimide] was investigated using volumetric adsorption measurements and grand canonical Monte Carlo (GCMC) simulations. The MOF was synthesized by two routes: first at 80 °C for two days with conventional heating, and second at 120 °C for 1 h using microwave heating. The two as-synthesized samples exhibit very similar powder X-ray diffraction patterns, but the evacuated samples show differences in nitrogen uptake. From the single-component CO2 and CH4 isotherms, mixture adsorption was predicted using the ideal adsorbed solution theory (IAST). The microwave sample shows a selectivity of ∼30 for CO2 over CH4, which is among the highest selectivities reported for this separation. The applicability of IAST to this system was demonstrated by performing GCMC simulations for both single-component and mixture adsorption.",

author = "Bae, {Youn Sang} and Mulfort, {Karen L.} and Houston Frost and Patrick Ryan and Sudeep Punnathanam and Broadbelt, {Linda J} and Hupp, {Joseph T} and Snurr, {Randall Q}",

year = "2008",

month = aug,

day = "19",

doi = "10.1021/la800555x",

language = "English (US)",

volume = "24",

pages = "8592--8598",

journal = "Langmuir",

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T1 - Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks

AU - Bae, Youn Sang

AU - Mulfort, Karen L.

AU - Frost, Houston

AU - Ryan, Patrick

AU - Punnathanam, Sudeep

AU - Broadbelt, Linda J

AU - Hupp, Joseph T

AU - Snurr, Randall Q

PY - 2008/8/19

Y1 - 2008/8/19

N2 - The adsorption of CO2 and CH4 in a mixed-ligand metal-organic framework (MOP) Zn2(NDC)2(DPNI) [NDC = 2,6-naphthalenedicarboxylate, DPNI = N,N′-di-(4-pyridyl)-1,4,5,8- naphthalene tetracarboxydiimide] was investigated using volumetric adsorption measurements and grand canonical Monte Carlo (GCMC) simulations. The MOF was synthesized by two routes: first at 80 °C for two days with conventional heating, and second at 120 °C for 1 h using microwave heating. The two as-synthesized samples exhibit very similar powder X-ray diffraction patterns, but the evacuated samples show differences in nitrogen uptake. From the single-component CO2 and CH4 isotherms, mixture adsorption was predicted using the ideal adsorbed solution theory (IAST). The microwave sample shows a selectivity of ∼30 for CO2 over CH4, which is among the highest selectivities reported for this separation. The applicability of IAST to this system was demonstrated by performing GCMC simulations for both single-component and mixture adsorption.

AB - The adsorption of CO2 and CH4 in a mixed-ligand metal-organic framework (MOP) Zn2(NDC)2(DPNI) [NDC = 2,6-naphthalenedicarboxylate, DPNI = N,N′-di-(4-pyridyl)-1,4,5,8- naphthalene tetracarboxydiimide] was investigated using volumetric adsorption measurements and grand canonical Monte Carlo (GCMC) simulations. The MOF was synthesized by two routes: first at 80 °C for two days with conventional heating, and second at 120 °C for 1 h using microwave heating. The two as-synthesized samples exhibit very similar powder X-ray diffraction patterns, but the evacuated samples show differences in nitrogen uptake. From the single-component CO2 and CH4 isotherms, mixture adsorption was predicted using the ideal adsorbed solution theory (IAST). The microwave sample shows a selectivity of ∼30 for CO2 over CH4, which is among the highest selectivities reported for this separation. The applicability of IAST to this system was demonstrated by performing GCMC simulations for both single-component and mixture adsorption.

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Separation of CO₂ from CH₄ using mixed-ligand metal-organic frameworks

Abstract

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