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 journalArticle

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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 languageEnglish
Pages (from-to)8592-8598
Number of pages7
JournalLangmuir
Volume24
Issue number16
DOIs
Publication statusPublished - Aug 19 2008

Fingerprint

Metals
Ligands
Adsorption
ligands
adsorption
metals
selectivity
microwaves
heating
Microwave heating
Naphthalene
naphthalene
Diffraction patterns
Isotherms
isotherms
Nitrogen
diffraction patterns
simulation
routes
Microwaves

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Colloid and Surface Chemistry

Cite this

Bae, Y. S., Mulfort, K. L., Frost, H., Ryan, P., Punnathanam, S., Broadbelt, L. J., ... Snurr, R. Q. (2008). Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks. Langmuir, 24(16), 8592-8598. https://doi.org/10.1021/la800555x

Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks. / Bae, Youn Sang; Mulfort, Karen L.; Frost, Houston; Ryan, Patrick; Punnathanam, Sudeep; Broadbelt, Linda J.; Hupp, Joseph T; Snurr, Randall Q.

In: Langmuir, Vol. 24, No. 16, 19.08.2008, p. 8592-8598.

Research output: Contribution to journalArticle

Bae, YS, Mulfort, KL, Frost, H, Ryan, P, Punnathanam, S, Broadbelt, LJ, Hupp, JT & Snurr, RQ 2008, 'Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks', Langmuir, vol. 24, no. 16, pp. 8592-8598. https://doi.org/10.1021/la800555x
Bae YS, Mulfort KL, Frost H, Ryan P, Punnathanam S, Broadbelt LJ et al. Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks. Langmuir. 2008 Aug 19;24(16):8592-8598. https://doi.org/10.1021/la800555x
Bae, Youn Sang ; Mulfort, Karen L. ; Frost, Houston ; Ryan, Patrick ; Punnathanam, Sudeep ; Broadbelt, Linda J. ; Hupp, Joseph T ; Snurr, Randall Q. / Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks. In: Langmuir. 2008 ; Vol. 24, No. 16. pp. 8592-8598.
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