Hydrogen Adsorption Measurements and Modeling on Metal-Organic Frameworks and Single-Walled Carbon Nanotubes

Poirier, Éric; Chahine, Richard; Bénard, Pierre; Lafi, Lyubov; Dorval-Douville, G.; Pa, Chandonia

doi:10.1021/la061149c

Cited by 57 publications

(67 citation statements)

References 30 publications

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“…The characteristic energies calculated using (11) are qualitatively in good agreement with the constant characteristic energy published for hydrogen (Amankwah and Schwarz 1995;Poirier et al 2006) and nitrogen (Dastgheib and Karanfil 2005) and methane (Himeno et al 2005). In the case of methane, the small magnitude of the parameter β supports the assumption of invariance of ε in temperature in the data range studied.…”

Section: Resultssupporting

confidence: 76%

Gas adsorption process in activated carbon over a wide temperature range above the critical point. Part 1: modified Dubinin-Astakhov model

2009

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Simulations of the thermal effects during adsorption cycles are valuable tools for the design of efficient adsorption-based systems such as gas storage, gas separation and adsorption-based heat pumps. An analytical representation of the measured adsorption data over the wide operating pressure and temperature swing of the system is necessary for the calculation of complete mass and energy conservation equations. In Part 1, the Dubinin-Astakhov (D-A) model is adapted to model hydrogen, nitrogen, and methane adsorption isotherms on activated carbon at high pressures and supercritical temperatures assuming a constant microporous adsorption volume. The five parameter D-A type adsorption model is shown to fit the experimental data for hydrogen (30 to 293 K, up to 6 MPa), nitrogen (93 to 298 K, up to 6 MPa), and for methane (243 to 333 K, up to 9 MPa). The quality of the fit of the multiple experimental adsorption isotherms is excellent over the large temperature and pressure ranges involved. The model's parameters could be determined as well from only the 77 K and 298 K hydrogen isotherms without much reducing the quality of the fit.

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Section: Resultssupporting

confidence: 76%

Gas adsorption process in activated carbon over a wide temperature range above the critical point. Part 1: modified Dubinin-Astakhov model

2009

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“…3.3 Differential energy of adsorption and heat of adsorption Figure 2 presents the differential energy and the isosteric heat of adsorption as function of n a . The isosteric heat values fall within the same range of published for nitrogen Zhou et al 2001), hydrogen (Poirier et al 2006;Zhou and Zhou 1996;Roussel et al 2006) and methane (Himeno et al 2005;Pribylov et al 2000;Zhou et al 2001) adsorption on carbon. It decreases rapidly with the amount adsorbed.…”

Section: Pressure Vs Fugacitysupporting

confidence: 83%

Gas adsorption process in activated carbon over a wide temperature range above the critical point. Part 2: conservation of mass and energy

2009

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Simulations of the thermal effects during adsorption cycles are a valuable tool for the design of efficient adsorption-based systems such as gas storage, gas separation and adsorption-based heat pumps. In this paper, we present simulations of the thermal phenomena associated with hydrogen, nitrogen and methane adsorption on activated carbon for supercritical temperatures and high pressures. The analytical expressions of adsorption and of the internal energy of the adsorbed phase are calculated from a DubininAstakhov adsorption model using solution thermodynamics. A constant adsorption volume is assumed. The isosteric heat is also calculated and discussed. Finally, the mass and energy rate balance equations for an adsorbate/adsorbent pair are presented and are shown to be in agreement with desorption experiments.

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“…Carbon-based sorbents, synthesized from various organic precursors, can be structured into a variety of forms including: carbon nanotubes, [46][47][48] fibers, 46,48 fullerenes, 48,49 and activated carbons. 50,51 This breadth of structural and synthetic diversity enables composition, surface area, and pore size and shape, to be tuned for hydrogen gas uptake.…”

Section: Complex Hydridesmentioning

confidence: 99%

High capacity hydrogenstorage materials: attributes for automotive applications and techniques for materials discovery

et al. 2010

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Widespread adoption of hydrogen as a vehicular fuel depends critically upon the ability to store hydrogen on-board at high volumetric and gravimetric densities, as well as on the ability to extract/insert it at sufficiently rapid rates. As current storage methods based on physical means-high-pressure gas or (cryogenic) liquefaction-are unlikely to satisfy targets for performance and cost, a global research effort focusing on the development of chemical means for storing hydrogen in condensed phases has recently emerged. At present, no known material exhibits a combination of properties that would enable high-volume automotive applications. Thus new materials with improved performance, or new approaches to the synthesis and/or processing of existing materials, are highly desirable. In this critical review we provide a practical introduction to the field of hydrogen storage materials research, with an emphasis on (i) the properties necessary for a viable storage material, (ii) the computational and experimental techniques commonly employed in determining these attributes, and (iii) the classes of materials being pursued as candidate storage compounds. Starting from the general requirements of a fuel cell vehicle, we summarize how these requirements translate into desired characteristics for the hydrogen storage material. Key amongst these are: (a) high gravimetric and volumetric hydrogen density, (b) thermodynamics that allow for reversible hydrogen uptake/release under near-ambient conditions, and (c) fast reaction kinetics. To further illustrate these attributes, the four major classes of candidate storage materials-conventional metal hydrides, chemical hydrides, complex hydrides, and sorbent systems-are introduced and their respective performance and prospects for improvement in each of these areas is discussed. Finally, we review the most valuable experimental and computational techniques for determining these attributes, highlighting how an approach that couples computational modeling with experiments can significantly accelerate the discovery of novel storage materials (155 references).

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Hydrogen Adsorption Measurements and Modeling on Metal-Organic Frameworks and Single-Walled Carbon Nanotubes

Cited by 57 publications

References 30 publications

Gas adsorption process in activated carbon over a wide temperature range above the critical point. Part 1: modified Dubinin-Astakhov model

Gas adsorption process in activated carbon over a wide temperature range above the critical point. Part 1: modified Dubinin-Astakhov model

Gas adsorption process in activated carbon over a wide temperature range above the critical point. Part 2: conservation of mass and energy

High capacity hydrogenstorage materials: attributes for automotive applications and techniques for materials discovery

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