Modeling High-Pressure Hydrogen Uptake by Nanoporous Metal-Organic Frameworks: Implications for Hydrogen Storage and Delivery - Université de Lorraine
Journal Articles ACS Applied Nano Materials Year : 2022

Modeling High-Pressure Hydrogen Uptake by Nanoporous Metal-Organic Frameworks: Implications for Hydrogen Storage and Delivery

Alain Celzard
Vanessa Fierro
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Abstract

Due to their very high porosity and superior textural properties, metal organic frameworks (MOFs) are promising nanoporous materials for hydrogen storage by cryo-compression. Herein, we investigated hydrogen adsorption on four commercial MOFs, namely MIL53-Al, MOF-5, HKUST-1, and MOF-177, over a temperature range of 77 to 273 K and pressures up to 14 MPa. The Modified Dubinin-Astakhov (MDA) equation was used to fit the experimental adsorption data, and six parameters (m, n max , α, β, P 0 and V a) were obtained. We concluded that the parameters n max and V a are related to the micropore volume while α, β, m and P 0 are related to the average micropore size. Compared to hydrogen compression in an empty tank, the introduction of MOF-5 enhanced the volumetric hydrogen storage at 77 K and 10 MPa from 31 to 42 kg m-3. The release H 2 capacities of MOFs from a loading pressure of 10 MPa to a discharge pressure of 0.5 MPa were determined for either isothermal discharge at 77 K or after temperature increase to 160 K. For MOF-5, the amount of usable hydrogen increased up to 10.6 wt.% (40.8 mg cm-3) by pressure drop (from 10 to 0.5 MPa) and temperature increase (from 77 to 160 K).
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Dates and versions

hal-03842569 , version 1 (07-11-2022)

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Pamela Ramirez-Vidal, Rafael L S Canevesi, Alain Celzard, Vanessa Fierro. Modeling High-Pressure Hydrogen Uptake by Nanoporous Metal-Organic Frameworks: Implications for Hydrogen Storage and Delivery. ACS Applied Nano Materials, 2022, 5 (1), pp.759-773. ⟨10.1021/acsanm.1c03493⟩. ⟨hal-03842569⟩
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