Pore size distribution analysis of microporous carbons: a density functional theory approach

Lastoskie, Christian M.; Gubbins, Keith E.; Quirke, N.

doi:10.1021/j100120a035

Cited by 1,117 publications

(731 citation statements)

References 9 publications

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“…For all materials, a type-IV isotherm is observed, which is the typical hysteresis loop of mesoporous materials [41], indicating that the incorporation of Mo species does not destroy the structure of mesoporous SBA-15. The pore sizes were calculated from the desorption branch of the isotherm using the Barrett-Joyner-Halenda (BJH) model, which is an appropriate method for determining changes in the pore-size distribution [17,18,42] and the BarrettEmmett-Teller (BET) equation was applied for calculation of specific surface areas. The isotherms have the following characteristic features: (1) the capillary condensation step, which is caused by the decrease of the pore sizes, typically at the relative pressure p/p 0 = 0.6-0.7 for pristine SBA-15, shifts to lower relative pressure p/p 0 = 0.4-0.6 after introduction of MoO 3 particles into the pores (Fig.…”

Section: Resultsmentioning

confidence: 99%

The modification of MoO3 nanoparticles supported on mesoporous SBA-15: characterization using X-ray scattering, N2 physisorption, transmission electron microscopy, high-angle annular darkfield technique, Raman and XAFS spectroscopy

Huang

Bensch

Sigle³

et al. 2007

J Mater Sci

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MoO 3 was dispersed onto mesoporous SBA-15 by using ammonium heptamolybdate as MoO 3 source. The formation of MoO 3 was carried out by heating the loaded material to 500°C for 3 h in air. Below 13 wt% Mo loading, no reflections of MoO 3 occur in the X-ray powder patterns and even for high MoO 3 contents, the intensities of the reflections are much lower than expected for fully crystalline material. A detailed XAFS analysis reveals that at low Mo contents, the metastable hexagonal modification of MoO 3 is formed despite the high calcination temperature of 500°C. It is highly likely that the nanosize of the particles and the interaction between MoO 3 and SBA-15 stabilize the metastable modification of the material. Nitrogen physisorption experiments show the typical type-IV isotherms indicating that the mesoporosity of the materials is preserved despite the large amount of MoO 3 .Transmission electron micrographs demonstrate the presence of MoO 3 inside the SBA-15 support. The Raman spectra display a remarkable size-dependent intensity loss and several features give evidences for a bond formation between nano-sized MoO 3 particles and the silica support. Moreover, the spectroscopic details suggest the formation of (MoO 3 ) n oligomers.

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Section: Resultsmentioning

confidence: 99%

The modification of MoO3 nanoparticles supported on mesoporous SBA-15: characterization using X-ray scattering, N2 physisorption, transmission electron microscopy, high-angle annular darkfield technique, Raman and XAFS spectroscopy

Huang

Bensch

Sigle³

et al. 2007

J Mater Sci

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“…The volume of pores, and surface in pores larger than 10 Å were obtained using density functional theory (DFT) [38].…”

Section: Textural Characterizationmentioning

confidence: 99%

MOF–Graphite Oxide Composites: Combining the Uniqueness of Graphene Layers and Metal–Organic Frameworks

2009

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Graphite oxide (GO) / metal-organic framework (MOF-5) nanocomposites are synthesized with various ratios of the two components. In developing the concept of these new adsorbents, it was expected that distorted graphene sheets would contribute to the enhancement in the dispersive interactions, whereas MOF-5 component would contribute to the expansion of the pore space where adsorbates could be stored. Moreover, taking into account the variety of transition and noble metals, which can be used to form the MOF structure, those materials Moreover, specific combination and synergy between GO and MOF-5 units also result in the formation of a unique porosity characteristic of the nanocomposites.3

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“…Approximately 0.20 g to 0.25 g of sample was used for these analyses. The surface area, S BET was calculated from BET method, whereas for the volume of pores smaller than 10 Å, V <10 Å , surface in pores larger than 10 Å, S >10 Å , micropore volume, V mic , and mesopore volume, V mes , the DFT approach was applied [34]. The total pore volume was calculated from the last point of the isotherm at relative pressure equal to 0.99.…”

Section: Characterization Of Pore Structure Of Adsorbentsmentioning

confidence: 99%

Role of phosphorus in carbon matrix in desulfurization of diesel fuel using adsorption process

Seredych

Wu²,

Brender

et al. 2012

Fuel

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Adsorptive removal of dibenzothiophene (DBT) and 4, from model diesel fuel with 20 ppmw total concentration of sulfur was investigated on polymerderived carbons with incorporated heteroatoms of oxygen, sulfur and phosphorus. The materials before and after exposure to model diesel fuel were characterized using adsorption of nitrogen, thermal analysis, potentiometric titration, XPS and elemental analysis. The selectivities for DBT and DMDBT adsorption were calculated with reference to naphthalene. The results indicated that the presence of phosphorus, especially in the form of pyrophosphates and P 2 O 5 , increases the capacity and selectivity for removal of dibenzothiophenes. It also affects the adsorption mechanism. Phosphorus suppresses oxidation reactions of DBT and DMDBT. Owing to a possible location of bulky phosphorus groups in pore with sizes between 10-30 Å thiophenic molecules are strongly adsorbed there via dispersive forces. Acidic environment also enhances adsorption via acid-base interactions. Physical adsorption mechanism and stability of surface make these carbons attractive candidates for thermal regeneration.

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Pore size distribution analysis of microporous carbons: a density functional theory approach

Cited by 1,117 publications

References 9 publications

The modification of MoO3 nanoparticles supported on mesoporous SBA-15: characterization using X-ray scattering, N2 physisorption, transmission electron microscopy, high-angle annular darkfield technique, Raman and XAFS spectroscopy

The modification of MoO3 nanoparticles supported on mesoporous SBA-15: characterization using X-ray scattering, N2 physisorption, transmission electron microscopy, high-angle annular darkfield technique, Raman and XAFS spectroscopy

MOF–Graphite Oxide Composites: Combining the Uniqueness of Graphene Layers and Metal–Organic Frameworks

Role of phosphorus in carbon matrix in desulfurization of diesel fuel using adsorption process

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