Zeolitic Microporous Materials and Their Applications

Valencia, Susana

doi:10.3390/molecules26030730

Cited by 8 publications

(2 citation statements)

References 14 publications

(21 reference statements)

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“…Nanoporous materials, such as zeolites or metal–organic frameworks, are interesting materials because of their catalytic and adsorbing properties. The possibility of tuning their chemical composition and pore architecture to enhance selectivity makes them attractive for several industrial applications, such as adsorbents, molecular sieves, or shape-selective catalysts. − Several of these materials, in particular zeolite-based adsorbents, show great potential toward the capture of CO 2 , − with reported adsorption capacity higher than 5 mmol·g –1 in a few specific cases. The adsorption capacity of the adsorbent strongly depends on the possibility for the CO 2 guest molecules to establish host–guest and guest–guest interactions (e.g., van der Waals or hydrogen bonding).…”

Section: Introductionmentioning

confidence: 99%

Adsorption of CO₂ Molecules in Silicalite: Structural Investigation and Isotherm Modeling Using In Situ High-Resolution Powder X-ray Diffraction

et al. 2022

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The adsorption of carbon dioxide (CO 2 ) in porous materials is of great importance to address current environmental issues. We propose an approach where high-resolution powder X-ray diffraction and isotherm modeling are combined to unravel the adsorption process of CO 2 in the zeolite silicalite. Four main positions where the CO 2 molecules locate in silicalite are identified, two in the straight channels and two in the sinusoidal channels, which imposes a maximum adsorption capacity of 16 molecules per unit cell (2.77 mmol•g −1 ) at 21 bar. The resulting global isotherm is successfully fitted with a Toth model, in accordance with heterogeneous adsorption and the presence of intermolecular interactions. Then, to characterize the adsorption process at the sorption site level, a parametric Rietveld refinement is implemented, where the occupancy of each site is calculated from a site-specific isotherm model. The most favored site, in the straight channels, follows a simple Langmuir model, with the homogeneous adsorption of isolated molecules. The three other sites, less favored, display a Toth adsorption behavior, in accordance with the presence of molecule−molecule interactions. This combined approach, where Rietveld refinement and adsorption modeling are intrinsically linked, is a way to gain deeper knowledge of adsorption processes in nanoporous materials.

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Section: Introductionmentioning

confidence: 99%

Adsorption of CO₂ Molecules in Silicalite: Structural Investigation and Isotherm Modeling Using In Situ High-Resolution Powder X-ray Diffraction

et al. 2022

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“…S9(a)). The strength of Brönsted acid of SCM-36 zeolite is comparable to that of ZSM-5 (SiO2/Al2O3 = 108, ∆υ = 340 cm -1 ) [56] and slightly higher than those of MOR (SiO2/Al2O3 = 26, ∆υ = 294 cm -1 ) [57], beta (SiO2/Al2O3 = 38, ∆υ = 309 cm -1 ) [58] and Y (SiO2/Al2O3 = 5.8, ∆υ = 296 cm -1 ) [59] zeolites.…”

Section: Evaluation Of Acid Properties By In-situ Fourier Transform I...mentioning

confidence: 80%

SCM-36 zeolite nanosheets applied in the production of renewable p-xylene from ethylene and 2,5-dimethylfuran

Liu

et al. 2023

Chinese Journal of Catalysis

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Comment on the applicability of the Gurvich rule for estimation of pore volume in microporous zeolites

2022

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This comment seeks to establish a relation between two definitions of the pore volume of a microporous crystalline material. According to the first definition based on the Gurvich rule, the volume of the pores can be estimated from the saturated amount of vapour adsorbed, using the bulk liquid density of adsorbate as the conversion factor. The second definition is based on a purely geometric consideration of the porous space. With argon as the adsorbate and all-silica zeolite structures from the International Zeolite Association (IZA) database as the model adsorbents, we generate adsorption data using Grand Canonical Monte Carlo simulations and structural characteristics of the materials from the Poreblazer PB4.0 software. Under confinement in zeolitic pores, adsorbed argon forms structures very different from the liquid-like configurations. However, the pore volumes of these materials obtained from the Gurvich may deviate positively or negatively from the reference geometric value. Considering simply the geometric features of the materials, such as the pore volume itself or the pore size distribution, it proved to be difficult to anticipate how the volume from the Gurvich rule would deviate from the geometric volume for a particular structure. Overall, volume from the Gurvich rule agrees with the geometric volume within 25% error for 82% of the structures from the IZA database. As an additional outcome of this study, we provide a comprehensive database of textural characteristics and simulated argon adsorption data for all-silica zeolites, which can be used as reference values for the assessment of the quality of the microporous samples of all-silica zeolites in future experimental studies.

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Zeolitic Microporous Materials and Their Applications

Abstract: Research in the field of zeolites is a very active and relevant area, since these materials are still widely used as catalysts and adsorbents in many industrial applications, despite the appearance of other fascinating microporous materials with excellent properties [...]

Cited by 8 publications

References 14 publications

Adsorption of CO₂ Molecules in Silicalite: Structural Investigation and Isotherm Modeling Using In Situ High-Resolution Powder X-ray Diffraction

Adsorption of CO₂ Molecules in Silicalite: Structural Investigation and Isotherm Modeling Using In Situ High-Resolution Powder X-ray Diffraction

SCM-36 zeolite nanosheets applied in the production of renewable p-xylene from ethylene and 2,5-dimethylfuran

Comment on the applicability of the Gurvich rule for estimation of pore volume in microporous zeolites

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Zeolitic Microporous Materials and Their Applications

Abstract: Research in the field of zeolites is a very active and relevant area, since these materials are still widely used as catalysts and adsorbents in many industrial applications, despite the appearance of other fascinating microporous materials with excellent properties [...]

Cited by 8 publications

References 14 publications

Adsorption of CO2 Molecules in Silicalite: Structural Investigation and Isotherm Modeling Using In Situ High-Resolution Powder X-ray Diffraction

Adsorption of CO2 Molecules in Silicalite: Structural Investigation and Isotherm Modeling Using In Situ High-Resolution Powder X-ray Diffraction

SCM-36 zeolite nanosheets applied in the production of renewable p-xylene from ethylene and 2,5-dimethylfuran

Comment on the applicability of the Gurvich rule for estimation of pore volume in microporous zeolites

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Product

Resources

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Adsorption of CO₂ Molecules in Silicalite: Structural Investigation and Isotherm Modeling Using In Situ High-Resolution Powder X-ray Diffraction

Adsorption of CO₂ Molecules in Silicalite: Structural Investigation and Isotherm Modeling Using In Situ High-Resolution Powder X-ray Diffraction