Light Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks

Anna M. Plonka; Xianyin Chen; Hao Wang; Rajamani Krishna; Xinglong Dong; Debasis Banerjee; William R. Woerner; Yu Han; Jing Li; John B. Parise

doi:10.1021/acs.chemmater.5b03792

Light Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks

Anna M. Plonka, Xianyin Chen, Hao Wang, Rajamani Krishna, Xinglong Dong, Debasis Banerjee, William R. Woerner, Yu Han, Jing Li, John B. Parise

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

90 Scopus citations

Abstract

The adsorption mechanism of ethane, ethylene and acetylene (C2Hn; n=2, 4, 6) on two microporous metal organic frameworks (MOFs) is described here that is consistent with observations from single crystal and powder X-ray diffraction, calorimetric measurments and gas adsorption isotherm measurements. Two calcium-based MOFs, designated as SBMOF-1 and SBMOF-2 (SB: Stony Brook), form three-dimensional frameworks with one-dimensional open channels. As determined form single crystal diffraction experiments channel geometries of both SBMOF-1 and SBMOF-2 provide multiple adsorption sites for hydrocarbon molecules trough C-H…π and C-H…O interactions, similarly to interactions in the molecular and protein crystals. Both materials selectively adsorb C2 hydrocarbon gases over methane as determined with IAST and breakthrough calculations, with C2H6/CH4 selectivity as high as 74 in SBMOF-1.

Original language	English (US)
Pages (from-to)	1636-1646
Number of pages	11
Journal	Chemistry of Materials
Volume	28
Issue number	6
DOIs	https://doi.org/10.1021/acs.chemmater.5b03792
State	Published - Mar 2016

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KAUST Repository Item: Exported on 2020-10-01

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10.1021/acs.chemmater.5b03792

https://repository.kaust.edu.sa/bitstream/10754/595376/1/acs2Echemmater2E5b03792.pdf

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title = "Light Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks",

abstract = "The adsorption mechanism of ethane, ethylene and acetylene (C2Hn; n=2, 4, 6) on two microporous metal organic frameworks (MOFs) is described here that is consistent with observations from single crystal and powder X-ray diffraction, calorimetric measurments and gas adsorption isotherm measurements. Two calcium-based MOFs, designated as SBMOF-1 and SBMOF-2 (SB: Stony Brook), form three-dimensional frameworks with one-dimensional open channels. As determined form single crystal diffraction experiments channel geometries of both SBMOF-1 and SBMOF-2 provide multiple adsorption sites for hydrocarbon molecules trough C-H…π and C-H…O interactions, similarly to interactions in the molecular and protein crystals. Both materials selectively adsorb C2 hydrocarbon gases over methane as determined with IAST and breakthrough calculations, with C2H6/CH4 selectivity as high as 74 in SBMOF-1.",

author = "Plonka, {Anna M.} and Xianyin Chen and Hao Wang and Rajamani Krishna and Xinglong Dong and Debasis Banerjee and Woerner, {William R.} and Yu Han and Jing Li and Parise, {John B.}",

note = "KAUST Repository Item: Exported on 2020-10-01",

year = "2016",

month = mar,

doi = "10.1021/acs.chemmater.5b03792",

language = "English (US)",

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journal = "Chemistry of Materials",

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AU - Plonka, Anna M.

AU - Chen, Xianyin

AU - Wang, Hao

AU - Krishna, Rajamani

AU - Dong, Xinglong

AU - Banerjee, Debasis

AU - Woerner, William R.

AU - Han, Yu

AU - Li, Jing

AU - Parise, John B.

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2016/3

Y1 - 2016/3

N2 - The adsorption mechanism of ethane, ethylene and acetylene (C2Hn; n=2, 4, 6) on two microporous metal organic frameworks (MOFs) is described here that is consistent with observations from single crystal and powder X-ray diffraction, calorimetric measurments and gas adsorption isotherm measurements. Two calcium-based MOFs, designated as SBMOF-1 and SBMOF-2 (SB: Stony Brook), form three-dimensional frameworks with one-dimensional open channels. As determined form single crystal diffraction experiments channel geometries of both SBMOF-1 and SBMOF-2 provide multiple adsorption sites for hydrocarbon molecules trough C-H…π and C-H…O interactions, similarly to interactions in the molecular and protein crystals. Both materials selectively adsorb C2 hydrocarbon gases over methane as determined with IAST and breakthrough calculations, with C2H6/CH4 selectivity as high as 74 in SBMOF-1.

AB - The adsorption mechanism of ethane, ethylene and acetylene (C2Hn; n=2, 4, 6) on two microporous metal organic frameworks (MOFs) is described here that is consistent with observations from single crystal and powder X-ray diffraction, calorimetric measurments and gas adsorption isotherm measurements. Two calcium-based MOFs, designated as SBMOF-1 and SBMOF-2 (SB: Stony Brook), form three-dimensional frameworks with one-dimensional open channels. As determined form single crystal diffraction experiments channel geometries of both SBMOF-1 and SBMOF-2 provide multiple adsorption sites for hydrocarbon molecules trough C-H…π and C-H…O interactions, similarly to interactions in the molecular and protein crystals. Both materials selectively adsorb C2 hydrocarbon gases over methane as determined with IAST and breakthrough calculations, with C2H6/CH4 selectivity as high as 74 in SBMOF-1.

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DO - 10.1021/acs.chemmater.5b03792

M3 - Article

SN - 0897-4756

VL - 28

SP - 1636

EP - 1646

JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 6

ER -

Light Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks

Abstract

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CCDC 1420584: Experimental Crystal Structure Determination : catena-[(mu-22,25-bis(4-carboxyphenyl)[11,21:24,31-terphenyl]-14,34-dicarboxylato)-calcium ethylene]

CCDC 1420585: Experimental Crystal Structure Determination : catena-[(mu-22,25-bis(4-carboxyphenyl)[11,21:24,31-terphenyl]-14,34-dicarboxylato)-calcium ethane]

CCDC 1420580: Experimental Crystal Structure Determination : catena-[(mu-4,4'-sulfonyldibenzoato)-calcium acetylene]

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Light Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks

Abstract

Bibliographical note

Access to Document

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Datasets

CCDC 1420584: Experimental Crystal Structure Determination : catena-[(mu-22,25-bis(4-carboxyphenyl)[11,21:24,31-terphenyl]-14,34-dicarboxylato)-calcium ethylene]

CCDC 1420585: Experimental Crystal Structure Determination : catena-[(mu-22,25-bis(4-carboxyphenyl)[11,21:24,31-terphenyl]-14,34-dicarboxylato)-calcium ethane]

CCDC 1420580: Experimental Crystal Structure Determination : catena-[(mu-4,4'-sulfonyldibenzoato)-calcium acetylene]

Cite this