Metal-organic frameworks for oxygen storage

Jared B. DeCoste; Mitchell H. Weston; Patrick E. Fuller; Trenton M. Tovar; Gregory W. Peterson; M. Douglas LeVan; Omar K. Farha

doi:10.1002/anie.201408464

Metal-organic frameworks for oxygen storage

Jared B. DeCoste, Mitchell H. Weston, Patrick E. Fuller, Trenton M. Tovar, Gregory W. Peterson, M. Douglas LeVan, Omar K. Farha

Chemistry

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

115 Scopus citations

Abstract

We present a systematic study of metal-organic frameworks (MOFs) for the storage of oxygen. The study starts with grand canonical Monte Carlo simulations on a suite of 10000 MOFs for the adsorption of oxygen. From these data, the MOFs were down selected to the prime candidates of HKUST-1 (Cu-BTC) and NU-125, both with coordinatively unsaturated Cu sites. Oxygen isotherms up to 30 bar were measured at multiple temperatures to determine the isosteric heat of adsorption for oxygen on each MOF by fitting to a Toth isotherm model. High pressure (up to 140 bar) oxygen isotherms were measured for HKUST-1 and NU-125 to determine the working capacity of each MOF. Compared to the zeolite NaX and Norit activated carbon, NU-125 has an increased excess capacity for oxygen of 237% and 98%, respectively. These materials could ultimately prove useful for oxygen storage in medical, military, and aerospace applications.

Original language	English (US)
Pages (from-to)	14092-14095
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	53
Issue number	51
DOIs	https://doi.org/10.1002/anie.201408464
State	Published - Dec 15 2014

Funding

Keywords

Adsorption
Metal-organic frameworks
Microporous materials
Oxygen

ASJC Scopus subject areas

General Chemistry
Catalysis

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10.1002/anie.201408464

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abstract = "We present a systematic study of metal-organic frameworks (MOFs) for the storage of oxygen. The study starts with grand canonical Monte Carlo simulations on a suite of 10000 MOFs for the adsorption of oxygen. From these data, the MOFs were down selected to the prime candidates of HKUST-1 (Cu-BTC) and NU-125, both with coordinatively unsaturated Cu sites. Oxygen isotherms up to 30 bar were measured at multiple temperatures to determine the isosteric heat of adsorption for oxygen on each MOF by fitting to a Toth isotherm model. High pressure (up to 140 bar) oxygen isotherms were measured for HKUST-1 and NU-125 to determine the working capacity of each MOF. Compared to the zeolite NaX and Norit activated carbon, NU-125 has an increased excess capacity for oxygen of 237% and 98%, respectively. These materials could ultimately prove useful for oxygen storage in medical, military, and aerospace applications.",

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T1 - Metal-organic frameworks for oxygen storage

AU - DeCoste, Jared B.

AU - Weston, Mitchell H.

AU - Fuller, Patrick E.

AU - Tovar, Trenton M.

AU - Peterson, Gregory W.

AU - LeVan, M. Douglas

AU - Farha, Omar K.

PY - 2014/12/15

Y1 - 2014/12/15

N2 - We present a systematic study of metal-organic frameworks (MOFs) for the storage of oxygen. The study starts with grand canonical Monte Carlo simulations on a suite of 10000 MOFs for the adsorption of oxygen. From these data, the MOFs were down selected to the prime candidates of HKUST-1 (Cu-BTC) and NU-125, both with coordinatively unsaturated Cu sites. Oxygen isotherms up to 30 bar were measured at multiple temperatures to determine the isosteric heat of adsorption for oxygen on each MOF by fitting to a Toth isotherm model. High pressure (up to 140 bar) oxygen isotherms were measured for HKUST-1 and NU-125 to determine the working capacity of each MOF. Compared to the zeolite NaX and Norit activated carbon, NU-125 has an increased excess capacity for oxygen of 237% and 98%, respectively. These materials could ultimately prove useful for oxygen storage in medical, military, and aerospace applications.

AB - We present a systematic study of metal-organic frameworks (MOFs) for the storage of oxygen. The study starts with grand canonical Monte Carlo simulations on a suite of 10000 MOFs for the adsorption of oxygen. From these data, the MOFs were down selected to the prime candidates of HKUST-1 (Cu-BTC) and NU-125, both with coordinatively unsaturated Cu sites. Oxygen isotherms up to 30 bar were measured at multiple temperatures to determine the isosteric heat of adsorption for oxygen on each MOF by fitting to a Toth isotherm model. High pressure (up to 140 bar) oxygen isotherms were measured for HKUST-1 and NU-125 to determine the working capacity of each MOF. Compared to the zeolite NaX and Norit activated carbon, NU-125 has an increased excess capacity for oxygen of 237% and 98%, respectively. These materials could ultimately prove useful for oxygen storage in medical, military, and aerospace applications.

KW - Adsorption

KW - Metal-organic frameworks

KW - Microporous materials

KW - Oxygen

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Metal-organic frameworks for oxygen storage

Abstract

Funding

Keywords

ASJC Scopus subject areas

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