Models for Simulation of Fractal-like Particle Clusters with Prescribed Fractal Dimension

Tomchuk, Oleksandr

doi:10.3390/fractalfract7120866

Cited by 9 publications

(2 citation statements)

References 145 publications

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“…The low-q part of the scattering curves shows linear behavior in the double logarithmic representation, which can point to a fractal structure of the materials or indicate a high polydispersity of the nanoparticles. The value of the exponent for all samples is close to −3, which is the border value between surface and volume fractal morphology [48]. Since the variation in the exponent value with the Ni content of the samples is not regular, the polydispersity scenario is more plausible, and it is also supported by the observations through electron microscopy.…”

Section: Small-angle Neutron Scatteringmentioning

confidence: 54%

Design of Nickel-Containing Nanocomposites Based on Ordered Mesoporous Silica: Synthesis, Structure, and Methylene Blue Adsorption

Kouznetsova,

Ivanets,

Prozorovich

et al. 2024

Gels

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Mesoporous materials containing heteroelements have a huge potential for use as catalysts, exchangers, and adsorbents due to their tunable nanometer-sized pores and exceptionally large internal surfaces accessible to bulky organic molecules. In the present work, ordered mesoporous silica containing Ni atoms as active sites was synthesized by a new low-temperature method of condensation of silica precursors on a micellar template from aqueous solutions in the presence of nickel salt. The homogeneity of the resulting product was achieved by introducing ammonia and ammonium salt as a buffer to maintain a constant pH value. The obtained materials were characterized by nitrogen sorption, X-ray and neutron diffraction, scanning electron microscopy, infrared spectroscopy, and thermal analysis. Their morphology consists of polydisperse spherical particles 50–300 nm in size, with a hexagonally ordered channel structure, high specific surface area (ABET = 900–1200 m2/g), large pore volume (Vp = 0.70–0.90 cm3/g), average mesopore diameter of about 3 nm, and narrow pore size distribution. Adsorption tests for methylene blue show sorption capacities reaching 39–42 mg/g at alkaline pH. The advantages of producing nickel silicates by this method, in contrast to precipitation from silicon alkoxides, are the low cost of reagents, fire safety, room-temperature processing, and the absence of specific problems associated with the use of ethanol as a solvent, as well as the absence of the inevitable capture of organic matter in the precipitation process.

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Section: Small-angle Neutron Scatteringmentioning

confidence: 54%

Design of Nickel-Containing Nanocomposites Based on Ordered Mesoporous Silica: Synthesis, Structure, and Methylene Blue Adsorption

Kouznetsova,

Ivanets,

Prozorovich

et al. 2024

Gels

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show abstract

“…The concept of the DLA was initially introduced [27] as a discrete model of growth of dendritic clusters formed by irreversible aggregation of small particles. Since then, it became a paradigm in description of growth phenomena and pattern formation [28,29], in particular as a model of colloidal particle aggregation [30,31], growth of neuronal trees [32], retinal arterial and venous vessels [33], thin film nucleation growth process [34], growth of microbial colonies [35] etc.…”

Section: Introductionmentioning

confidence: 99%

Coagulation-flocculation process on a lattice: Monte Carlo simulations

Blavatska,

Ilnytskyi,

Lähderanta

2024

J. Phys. A: Math. Theor.

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Coagulation-flocculation, the physicochemical process widely used for purification a wastewater, is affected both by chemical details of involved polymers and by the statistics of their conformations on a large scale. The latter aspect is covered in this study by employing a coarse-grained modelling approach based on a combination of two paradigms of statistical mechanics. One is the self-avoiding walk (SAW) which generates a range of conformations for a linear polymer of $N_{{\rm SAW}}$ monomers. Another one is a non-trivial diffusion limited aggregation (DLA) process of $N_{{\rm DLA}}$ impurities (referred thereafter as ``particles") which describes their coagulation occurring with the probability $0< p \leq 1$ ($p=1$ recovers a standard DLA). DLA of diffusive particles is complemented by their irreversible adsorption on the SAW monomers occurring with the probability equal to one, both processes resulting in formation of the DLA-SAW agglomerates. The dynamics of formation of such agglomerates, as well as their fractal dimensions and internal structure are of practical interest. We consider a range of related characteristics, such as: (i) absolute $N_a$ and relative $n_a$ adsorbing efficiencies of SAW; (ii) effective gyration radius $R_{g {\rm DLA-SAW}}$ of the DLA-SAW agglomerates; and (iii) the fractal dimension $D_{{\rm DLA-SAW}}$ of these aggregates. These are studied within a wide range for each parameter from a set $\{p,N_{{\rm DLA}},N_{{\rm SAW}}\}$.

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Optimization of hierarchical textured PDMS film with wide-angle broadband anti-reflection for light trapping in solar cells

Lee,

Chae,

et al. 2024

Chemical Engineering Journal

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Models for Simulation of Fractal-like Particle Clusters with Prescribed Fractal Dimension

Cited by 9 publications

References 145 publications

Design of Nickel-Containing Nanocomposites Based on Ordered Mesoporous Silica: Synthesis, Structure, and Methylene Blue Adsorption

Design of Nickel-Containing Nanocomposites Based on Ordered Mesoporous Silica: Synthesis, Structure, and Methylene Blue Adsorption

Coagulation-flocculation process on a lattice: Monte Carlo simulations

Optimization of hierarchical textured PDMS film with wide-angle broadband anti-reflection for light trapping in solar cells

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