The cluster model: A hierarchically-ordered assemblage of random-packing spheres for modelling microstructure of porous materials

Morales‐Flórez, Víctor; Piñero, Manuel; Rosa–Fox, N. de la; Esquivias, L.; Anta, Juan A.; Primera, Juan

doi:10.1016/j.jnoncrysol.2007.07.061

Cited by 19 publications

(22 citation statements)

References 33 publications

(42 reference statements)

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“…3). At the selected magnification, both samples presented the typical coarse texture of the hierarchically ordered porous matrixes of the silica aerogels that can be observed at this length scales [30,31], but some differences clearly aroused.…”

Section: Samplementioning

confidence: 91%

Absorption capacity, kinetics and mechanical behaviour in dry and wet states of hydrophobic DEDMS/TEOS-based silica aerogels

Morales‐Flórez

Piñero

Braza

et al. 2016

J Sol-Gel Sci Technol

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This work is a new approach to the study of the structural, mechanical and absorption properties of hybrid organic/inorganic silica-based aerogels. Diethoxydimethylsilane and tetraethoxysilane have been used as precursors. Changes in properties such as specific surface area, porous volume, pore radius and surface texture and chemistry were researched as a function of the relative organic content. In addition, the absorption properties were tested for different organic liquids. The discrepancy in the absorption mechanisms and the kinetics of pure inorganic and hybrid samples were discussed. It was confirmed that swelling occurs in samples with high organic content, which, in turn, governs the absorption process. Finally, the mechanical behaviour was studied by uniaxial compression. A significant rise of the rupture strain up to 0.45 and a 10-fold decrease in the Young"s modulus to 7.8 MPa were measured in the dry samples by increasing the organic content. The mechanical response of the samples after saturation by the absorption of two reference oily liquids, namely, common motor oil and liquid PDMS, was also compared with the behaviour of dry samples. The presence of liquid within the sample reduced the value of the mechanical parameters in almost all cases. Moreover, the inclusion of organic chains also made the wet aerogels highly deformable. In summary, our results suggest that tuning the organic ratio of the hybrid aerogels allows the control of not only the structural and mechanical properties but also the absorption properties.

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Section: Samplementioning

confidence: 91%

Absorption capacity, kinetics and mechanical behaviour in dry and wet states of hydrophobic DEDMS/TEOS-based silica aerogels

Morales‐Flórez

Piñero

Braza

et al. 2016

J Sol-Gel Sci Technol

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“…(iv) The mean particle diameter can be also deduced from the Phase Size Distribution (PSD). In the present work, the PSDs are calculated according to a pure geometrical approach [31] based on the Gavalda and Gelb method [34,35].…”

Section: Microstructure Calculationsmentioning

confidence: 99%

Degradation study by 3D reconstruction of a nickel–yttria stabilized zirconia cathode after high temperature steam electrolysis operation

Lay-Grindler

Laurencin

Villanova

et al. 2014

Journal of Power Sources

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“…However, all particles were assumed to be equal in size, which is not always the case in a real system, where particles can vary over a range of sizes. Work by Morales-Flórez et al 28,29 used an algorithm with randomly-packed spheres in several hierarchically-ordered levels in order to simulate silica (SiO 2 ) and titania (TiO 2 ) porous materials. Even though the nal structures obtained vary in shape, the primary spherical particles used to form the nal clusters are all identical in size.…”

Section: Introductionmentioning

confidence: 99%

“…40 In this work, a cluster growth and aggregation model, using kinetic Monte Carlo simulations, is presented. The model aims to mimic the growth processes deduced from experimental gel formation, and in particular moves away from the dependence on uniform sphere size found in previous models, [26][27][28][29][30] while adding cluster growth and concentration of activated species compared to previous work developed for similar systems. 23,24 We develop a two-dimensional model, which allows visual understanding of the structure development, as well as evaluation of large system sizes, to explore the fractal properties.…”

Section: Introductionmentioning

confidence: 99%

Modelling the formation of porous organic gels – how structural properties depend on growth conditions

2019

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The cluster model: A hierarchically-ordered assemblage of random-packing spheres for modelling microstructure of porous materials

Cited by 19 publications

References 33 publications

Absorption capacity, kinetics and mechanical behaviour in dry and wet states of hydrophobic DEDMS/TEOS-based silica aerogels

Absorption capacity, kinetics and mechanical behaviour in dry and wet states of hydrophobic DEDMS/TEOS-based silica aerogels

Degradation study by 3D reconstruction of a nickel–yttria stabilized zirconia cathode after high temperature steam electrolysis operation

Modelling the formation of porous organic gels – how structural properties depend on growth conditions

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