An International Laboratory Comparison Study of Volumetric and Gravimetric Hydrogen Adsorption Measurements

Hurst, Katherine E.; Gennett, Thomas; Adams, Jesse; Allendorf, Mark D.; Balderas‐Xicohténcatl, Rafael; Bielewski, Marek; Edwards, Bryce W.; Espinal, Laura; Fultz, B.; Hirscher, Michael; Hudson, M. Sterlin Leo; Hulvey, Zeric; Latroche, M.; Liu, Di‐Jia; Kapelewski, Matthew T.; Napolitano, Emilio; Perry, Zachary; Purewal, Justin; Stavila, Vitalie; Veenstra, Mike; White, J. L.; Yuan, Yuping; Zhou, Hong‐Cai; Zlotea, Claudia; Parilla, Philip A.

doi:10.1002/cphc.201900166

Cited by 29 publications

(21 citation statements)

References 31 publications

(66 reference statements)

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“…Previous interlaboratory exercises, performed on both nanoporous carbons [116] and MgH 2 , [117] have demonstrated the difficulties that can be encountered when trying to achieve reproducibility between results obtained in different laboratories. [36] Recent efforts by Hurst and co‐workers, on nanoporous carbons, have achieved more consistent results,[ 118 , 119 ] but the disparity observed in the earlier exercises[ 116 , 117 ] does not inspire confidence in the likely veracity of all independently determined results published in the existing literature.…”

Section: Discussionmentioning

confidence: 99%

Improving Reproducibility in Hydrogen Storage Material Research

Broom

Hirscher

2021

ChemPhysChem

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Section: Discussionmentioning

confidence: 99%

Improving Reproducibility in Hydrogen Storage Material Research

Broom

Hirscher

2021

ChemPhysChem

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“…Round robin testing and investigation of literature metadata have provided even more evidence for large variabilities of adsorption measurement data. ,− Two recent studies conducted by Sholl and co-workers particularly provide useful insights into the scale of the reproducibility problem in this area. , In one example, Park et al examined thousands of experimental adsorption isotherms reported in the NIST/ARPA-E Adsorption Database and collected all CO 2 adsorption isotherms for MOFs. First of all, they found that even for the widely studied case of CO 2 adsorption, there are only 15 MOFs with adequate replicates in the literature that can be used in a reproducibility test.…”

Section: Challenges Of Multiscale Materials Screening: Accuracy Data ...mentioning

confidence: 99%

Performance-Based Screening of Porous Materials for Carbon Capture

et al. 2021

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Computational screening methods have changed the way new materials and processes are discovered and designed. For adsorption-based gas separations and carbon capture, recent efforts have been directed toward the development of multiscale and performance-based screening workflows where we can go from the atomistic structure of an adsorbent to its equilibrium and transport properties at different scales, and eventually to its separation performance at the process level. The objective of this work is to review the current status of this new approach, discuss its potential and impact on the field of materials screening, and highlight the challenges that limit its application. We compile and introduce all the elements required for the development, implementation, and operation of multiscale workflows, hence providing a useful practical guide and a comprehensive source of reference to the scientific communities who work in this area. Our review includes information about available materials databases, state-of-the-art molecular simulation and process modeling tools, and a complete catalogue of data and parameters that are required at each stage of the multiscale screening. We thoroughly discuss the challenges associated with data availability, consistency of the models, and reproducibility of the data and, finally, propose new directions for the future of the field.

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“…Fig. S12-S13 displays the NREL excess and calculated total (Ntot) (Supporting Information, Equation 6) H2 uptakes at 75.6 and 303 K for comparison (38)(39)(40). Figure 5b shows the absolute (Nabs) volumetric adsorption isotherms of H2 at 75.6 K in monoHKUST-1 compared with a densified HKUST-1 powder and a simulated H2 isotherm for HKUST-1.…”

Section: Hydrogen Storage Performancementioning

confidence: 99%

Densified HKUST-1 Monoliths as a Route to High Volumetric and Gravimetric Hydrogen Storage Capacity

Madden

O’Nolan

Rampal

et al. 2022

Preprint

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We are currently witnessing the dawn of the hydrogen (H2) economy, where H2 will become a primary fuel for heating, transportation, and long-distance and long-term energy storage. Among the diverse possibilities, H2 can be stored as a pressurized gas, cryogenic liquid, or solid fuel via adsorption onto porous materials. Metal-organic frameworks (MOFs) have emerged as the adsorbent materials with the theoretical highest H2 storage densities on both a volumetric and gravimetric basis. However, a critical bottleneck for the use of H2 as a transportation fuel has been the lack of densification methods capable of shaping MOFs into practical formulations whilst maintaining their adsorptive performance. Here, we report a high-throughput screening and deep analysis of a database of MOFs to find optimal materials, followed by the synthesis, characterisation, and performance evaluation of an optimal monolithic MOF (monoMOF) for H2 storage. After densification, this monoMOF stores 46 g L-1 H2 at 50 bar, 77 K, and delivers 41 and 42 g L-1 H2 at operating pressures of 25 and 50 bar, respectively, when deployed in a combined temperature–pressure (25-50 bar/77 K → 5 bar/160 K) swing gas delivery system. This performance represents up to an 80% reduction in the operating pressure requirements for delivering H2 gas when compared with benchmark materials, and an 83% reduction compared to compressed H2 gas. Our findings represent a substantial step forward in the application of high-density materials for volumetric H2 storage applications.

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An International Laboratory Comparison Study of Volumetric and Gravimetric Hydrogen Adsorption Measurements

Cited by 29 publications

References 31 publications

Improving Reproducibility in Hydrogen Storage Material Research

Improving Reproducibility in Hydrogen Storage Material Research

Performance-Based Screening of Porous Materials for Carbon Capture

Densified HKUST-1 Monoliths as a Route to High Volumetric and Gravimetric Hydrogen Storage Capacity

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