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Structure-property relationships in metal-organic frameworks for hydrogen storage

Structure-property relationships in metal-organic frameworks for hydrogen storage
Structure-property relationships in metal-organic frameworks for hydrogen storage

Experimental hydrogen isotherms on several metal-organic frameworks (IRMOF-1, IRMOF-3, IRMOF-9, ZIF-7, ZIF-8, ZIF-9, ZIF-11, ZIF-12, ZIF-CoNIm, MIL-101 (Cr), NH2-MIL-101 (Cr), NH2-MIL-101 (Al), UiO-66, UiO-67 and HKUST-1) synthesized in-house and measured at 77 K and pressures up to 18 MPa are presented, along with N2 adsorption characterization. The experimental isotherms together with literature high pressure hydrogen data were analyzed in order to search for relationships between structural properties of the materials and their hydrogen uptakes. The total hydrogen capacity of the materials was calculated from the excess adsorption assuming a constant density for the adsorbed hydrogen. The surface area, pore volumes and pore sizes of the materials were related to their maximum hydrogen excess and total hydrogen capacities. Results also show that ZIF-7 and ZIF-9 (SOD topology) have unusual hydrogen isotherm shapes at relatively low pressures, which is indicative of "breathing", a phase transition in which the pore space increases due to adsorption. This work presents novel correlations using the modelled total hydrogen capacities of several MOFs. These capacities are more practically relevant for energy storage applications than the measured excess hydrogen capacities. Thus, these structural correlations will be advantageous for the prediction of the properties a MOF will need in order to meet the US Department of Energy targets for the mass and volume capacities of on-board storage systems. Such design tools will allow hydrogen to be used as an energy vector for sustainable mobile applications such as transport, or for providing supplementary power to the grid in times of high demand.

Breathing structure, Hydrogen adsorption, Hydrogen storage, MOF, Nitrogen adsorption, Structure-property relationship
0927-7757
77-85
Noguera-Díaz, Antonio
bea37c4d-bae4-4946-98b4-9a3c367d94e4
Bimbo, Nuno
53d9fc24-e2c1-4e2d-8d75-8dc640d8adda
Holyfield, Leighton T.
3749b08c-2586-4a45-86e8-a9c7e719e8d4
Ahmet, Ibbi Y.
fd709c9e-77bd-4a2a-be2d-dcad6a040d70
Ting, Valeska P.
d4381878-2aad-4a3f-a7cc-021a7f7075eb
Mays, Timothy J.
d02351c7-1d8f-4a9e-8d16-675c1f7b3635
Noguera-Díaz, Antonio
bea37c4d-bae4-4946-98b4-9a3c367d94e4
Bimbo, Nuno
53d9fc24-e2c1-4e2d-8d75-8dc640d8adda
Holyfield, Leighton T.
3749b08c-2586-4a45-86e8-a9c7e719e8d4
Ahmet, Ibbi Y.
fd709c9e-77bd-4a2a-be2d-dcad6a040d70
Ting, Valeska P.
d4381878-2aad-4a3f-a7cc-021a7f7075eb
Mays, Timothy J.
d02351c7-1d8f-4a9e-8d16-675c1f7b3635

Noguera-Díaz, Antonio, Bimbo, Nuno, Holyfield, Leighton T., Ahmet, Ibbi Y., Ting, Valeska P. and Mays, Timothy J. (2016) Structure-property relationships in metal-organic frameworks for hydrogen storage. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 496, 77-85. (doi:10.1016/j.colsurfa.2015.11.061).

Record type: Article

Abstract

Experimental hydrogen isotherms on several metal-organic frameworks (IRMOF-1, IRMOF-3, IRMOF-9, ZIF-7, ZIF-8, ZIF-9, ZIF-11, ZIF-12, ZIF-CoNIm, MIL-101 (Cr), NH2-MIL-101 (Cr), NH2-MIL-101 (Al), UiO-66, UiO-67 and HKUST-1) synthesized in-house and measured at 77 K and pressures up to 18 MPa are presented, along with N2 adsorption characterization. The experimental isotherms together with literature high pressure hydrogen data were analyzed in order to search for relationships between structural properties of the materials and their hydrogen uptakes. The total hydrogen capacity of the materials was calculated from the excess adsorption assuming a constant density for the adsorbed hydrogen. The surface area, pore volumes and pore sizes of the materials were related to their maximum hydrogen excess and total hydrogen capacities. Results also show that ZIF-7 and ZIF-9 (SOD topology) have unusual hydrogen isotherm shapes at relatively low pressures, which is indicative of "breathing", a phase transition in which the pore space increases due to adsorption. This work presents novel correlations using the modelled total hydrogen capacities of several MOFs. These capacities are more practically relevant for energy storage applications than the measured excess hydrogen capacities. Thus, these structural correlations will be advantageous for the prediction of the properties a MOF will need in order to meet the US Department of Energy targets for the mass and volume capacities of on-board storage systems. Such design tools will allow hydrogen to be used as an energy vector for sustainable mobile applications such as transport, or for providing supplementary power to the grid in times of high demand.

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More information

Accepted/In Press date: 23 November 2015
e-pub ahead of print date: 27 November 2015
Published date: 5 May 2016
Keywords: Breathing structure, Hydrogen adsorption, Hydrogen storage, MOF, Nitrogen adsorption, Structure-property relationship

Identifiers

Local EPrints ID: 435210
URI: http://eprints.soton.ac.uk/id/eprint/435210
ISSN: 0927-7757
PURE UUID: b5b47d6f-59ae-4199-94bd-a482949d6014
ORCID for Nuno Bimbo: ORCID iD orcid.org/0000-0001-8740-8284

Catalogue record

Date deposited: 25 Oct 2019 16:30
Last modified: 07 Oct 2020 02:26

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Contributors

Author: Antonio Noguera-Díaz
Author: Nuno Bimbo ORCID iD
Author: Leighton T. Holyfield
Author: Ibbi Y. Ahmet
Author: Valeska P. Ting
Author: Timothy J. Mays

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