Effect of pore geometry on ultra-densified hydrogen in microporous carbons

Tian, Mi; Lennox, Matthew J.; O’Malley, Alexander J.; Porter, Alexander J.; Krüner, Benjamin; Rudić, Svemir; Düren, Tina; Presser, Volker; Terry, Lui R; Rols, S.; Fang, Yanan; Dong, Zhili; Rochat, Sébastien; Ting, Valeska P.

doi:10.1016/j.carbon.2020.11.063

Cited by 33 publications

(24 citation statements)

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“…In order to probe the densification of hydrogen and investigate the presence of a high density, solid-like phase in MIL-101(Cr), we applied the same methodologies used in the past to analyze denser phases of hydrogen in microporous carbon TE7, titanium carbide-derived carbon, and single-walled carbon nanotubes. , INS is a very powerful technique that provides information about the adsorbed phase of hydrogen that is not possible to obtain using other techniques. Neutrons can penetrate deeply into solid matter and, unlike X-rays, are highly sensitive to the presence of hydrogen.…”

Section: Resultsmentioning

confidence: 99%

“…This work showed how H 2 could reach solid-like densities in these structures, with density values that surpassed 100 kg m –3 (solid parahydrogen at 4 K and 1.2 MPa has a density of 87.6 kg m –3 ). More recently, a follow-up study showed the same type of densification in two other carbons, a titanium carbide-derived carbon and a single-walled carbon nanotube . Understanding densification processes in H 2 -storage materials is a critical aspect when investigating adsorbent storage.…”

Section: Introductionmentioning

confidence: 96%

“…More recently, a follow-up study showed the same type of densification in two other carbons, a titanium carbide-derived carbon and a single-walled carbon nanotube. 16 Understanding densification processes in H 2 -storage materials is a critical aspect when investigating adsorbent storage. Although available surface area seems to correlate well with the uptake of H 2 , the densification that occurs upon adsorption is still not very well understood, and any insights into structure or morphology of the material that contribute to higher density states would guide the synthesis of new materials.…”

Section: ■ Introductionmentioning

confidence: 99%

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Hydrogen Adsorption in Metal–Organic Framework MIL-101(Cr)—Adsorbate Densities and Enthalpies from Sorption, Neutron Scattering, In Situ X-ray Diffraction, Calorimetry, and Molecular Simulations

Bimbo

Zhang

Aggarwal

et al. 2021

ACS Appl. Energy Mater.

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In this paper, hydrogen adsorption in metal−organic framework MIL-101(Cr) is investigated through a combination of sorption experiments, modeling of experimental isotherms, differential scanning calorimetry (DSC), neutron scattering, in situ synchrotron powder X-ray diffraction, and molecular simulations. The molecular simulations at 77 K for H 2 adsorption in the material show excellent correspondence with excess uptakes determined from experimental isotherms. The simulations also indicate that H 2 adsorption at a low pressure is mainly located in the 0.7 nm supertetrahedron and that, with increasing pressure, H 2 starts to accumulate in the small (2.9 nm) and large (3.4 nm) cages. The inelastic neutron scattering results show that, in contrast to reports for hydrogen adsorption under the same conditions for microporous carbons, there is no solid-like H 2 or any higher density H 2 phases adsorbed in the pores of . This indicates that, with increasing pressures, the adsorbed density of the MIL-101(Cr) remains constant but the volume of adsorbate increases and that higher densities for adsorbed hydrogen require pore sizes smaller than 0.7 nm, which is the size of the smallest pore in MIL-101(Cr). The enthalpies of adsorption are also investigated for this material using simulations, the Clapeyron equation applied to the isosteres and DSC, with the direct calorimetric method showing good agreement at zero coverage with the other two methods. The simulations and the Clapeyron equation are also in good agreement up to 6 wt % coverage.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 96%

Section: ■ Introductionmentioning

confidence: 99%

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Hydrogen Adsorption in Metal–Organic Framework MIL-101(Cr)—Adsorbate Densities and Enthalpies from Sorption, Neutron Scattering, In Situ X-ray Diffraction, Calorimetry, and Molecular Simulations

Bimbo

Zhang

Aggarwal

et al. 2021

ACS Appl. Energy Mater.

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“…因此, 寻找替代能源是当今世界最关键的挑战之一. 氢能具有高效环保、热能集中、来源广泛等优点, 有望成为目前碳基燃料的替代品 [51,52] . 然而, 氢作为燃料广泛使用还存在诸多挑战, 例如高效的制氢、纯化、存储和运输等 [53] .…”

Section: 同温度下一起混合碳化制得5种多孔碳材料(nc-600、unclassified

MOFs-derived porous carbon materials for gas adsorption and separation

et al. 2021

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“…The adsorption of gases into nanoporous materials has been studied as a method of densifying gaseous hydrogen to higher gravimetric and volumetric densities. [15][16][17] Recently, experimental studies of H 2 adsorbed in highly microporous carbons with pore diameters <2 nm have demonstrated the formation of H 2 with solid-like characteristics at atmospheric pressure and temperatures above hydrogen's critical temperatureconditions where, classically, bulk H 2 should be gaseous. Results have shown severely restricted mobility of molecules, 18,19 increased densities, 15,16,20,21 signature quantum rotational transitions of solid-like H 2 at temperatures up to 100 K (ref.…”

Section: Introductionmentioning

confidence: 99%