Search Results (6)

The crystallization behavior of avobenzone in cosmetic formulations has been investigated with a focus on its interaction with titanium dioxide and zinc oxide particles. Characterization studies using SEM, powder X-ray diffraction (PXRD), Raman spectroscopy, and energy-dispersive X-ray spectroscopy (EDS) reveal that avobenzone undergoes crystallization facilitated by nucleation on the surfaces of these metal oxide grains. The presence of wax and titanium oxide within the crystalline structures further suggests a complex formation, potentially involving catalytic effects on avobenzone nucleation and isomerization. Notably, the addition of ascorbyl palmitate inhibits unwanted crystallization, possibly through competitive complexation with exposed metal ions. These findings underscore the significance of formulation modifications in stabilizing avobenzone against crystallization, ensuring enhanced product stability in cosmetic applications. Future structural studies are anticipated to elucidate the precise nature of these co-crystalline phases, offering insights into optimizing sunscreen formulations for improved performance and longevity. Full article

In order to study the role of metal sodium in the spray pyrolysis of biomass tar, this paper designs a sodium-containing naphthalene pyrolysis system (NSS) and a pure naphthalene pyrolysis system (PNS) using naphthalene as the carbon source and sodium chloride as the sodium metal donor for comparison. This enables an exploration of the effect of sodium on the initial nucleation of carbon fumes formed by naphthalene pyrolysis using reaction molecular dynamics (ReaxFF MD). The simulation results show that NSS undergoes pyrolysis reactions earlier and faster than PNS at the same temperature. Simulated at 3250 K temperature for 2 ns, the naphthalene pyrolysis consumption rate of the NSS was faster than that of the PNS, and the addition of sodium atoms during the condensation process provided more active sites and accelerated the condensation of macromolecular products. Moreover, Na⁺ and carbon rings form a Na⁺-π structure to promote the bending of graphite lamellae to facilitate the formation of carbon nuclei. Molecular dynamics simulations were used to simulate the formation of carbon nuclei during the initial stage of naphthalene pyrolysis, revealing that the mechanism of sodium salt catalyzed the acceleration of organic matter pyrolysis from a microscopic visualization perspective. Full article

Herein, optimization of zeolite NaA/NaX synthesis conditions in order to obtain the final product with high surface area and pore volume was investigated. An optimal synthesis condition was 5 days aging time and crystallization time of 9 h with the co-addition of cetyltrimethylammonium bromide (CTAB) and heptane. All those optimal synthesis conditions provided mixed phase between zeolite NaA and NaX, and addition of those organic phases improved the surface area and pore volume of the final synthesized zeolite. The role of CTAB and heptane on increasing the surface area of zeolite was studied by in situ small-angle X-ray scattering (SAXS). The SAXS results evidenced that small nucleation precursor was formed upon the addition of organic phase, and this nucleation precursor can provide zeolite with high-characteristic XRD signals of mixed phase of zeolite A and X after the crystallization process. The synthesized zeolite obtained from optimal synthesis condition with high surface area was further used as a catalyst support by impregnating with 5, 10, 15, and 20wt%Ni for catalyzing CO₂ methanation reaction. The results found that 15wt%Ni/zeolite expressed the highest catalytic activity with high CH₄ selectivity and stability. This was due to high dispersion of Ni species on catalyst surface and high metal-support interaction between Ni and zeolite. These results indicated that the mixed phase zeolite support can be a potential catalyst support for this reaction. Full article

Herein, we report the mechanistic investigation of the formation of nickel (Ni) nanocrystallites during the formation of amorphous silicon nitride at a temperature as low as 400 °C, using perhydropolysilazane (PHPS) as a preformed precursor and further coordinated by nickel chloride (NiCl₂); thus, forming the non-noble transition metal (TM) as a potential catalyst and the support in an one-step process. It was demonstrated that NiCl₂ catalyzed dehydrocoupling reactions between Si-H and N-H bonds in PHPS to afford ternary silylamino groups, which resulted in the formation of a nanocomposite precursor via complex formation: Ni(II) cation of NiCl₂ coordinated the ternary silylamino ligands formed in situ. By monitoring intrinsic chemical reactions during the precursor pyrolysis under inert gas atmosphere, it was revealed that the Ni-N bond formed by a nucleophilic attack of the N atom on the Ni(II) cation center, followed by Ni nucleation below 300 °C, which was promoted by the decomposition of Ni nitride species. The latter was facilitated under the hydrogen-containing atmosphere generated by the NiCl₂-catalyzed dehydrocoupling reaction. The increase of the temperature to 400 °C led to the formation of a covalently-bonded amorphous Si₃N₄ matrix surrounding Ni nanocrystallites. Full article

The catalyzing effect on nucleation of recrystallization from existing grains resulting from previous lower temperature deformation is analyzed, analogous to the size effect of foreign nucleus in heterogeneous nucleation. Analytical formulation of the effective nucleation site for recrystallization leads to a negative temperature dependence of recrystallized grain size of metals. Non-isochronal annealing—where annealing time is set just enough for the completion of recrystallization at different temperatures—is conducted on pure copper after severe plastic deformation. More homogeneous and smaller grains are obtained at higher annealing temperature. The good fit between analytical and experimental results unveils the intrinsic feature of this negative temperature dependence of recrystallized grain size. Full article

An investigation was conducted into the influence of the amino acids as organic modifiers in the facile synthesis of metal incorporated fluorapatites (FAp) and their properties. The nanostructured Sm doped fluorapatites (Sm-FAp) were prepared by a co-precipitation method using four different amino acids, namely glutamic acid, aspartic acid, glycine and histidine. The materials were characterized by various techniques including X-ray diffraction (XRD), Fourier transform infra-red spectroscopy (FT-IR), field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDX), high resolution transmission electron microscopy (HR-TEM), N₂-adsorption/desorption isotherm, temperature programmed desorption (TPD) and fluorescence spectrophotometry. Under similar conditions, Sm-FAp prepared using different amino acids exhibited distinctly different morphological structures, surface area and pore properties. Their activity as catalysts was assessed and Sm-FAp/Glycine displayed excellent efficiency in the synthesis of 1,2,4-triazole catalyzing the reaction between 2-nitrobenzaldehyde and thiosemicarbazide with exceptional selectivity and 98% yield in a short time interval (10 min). The study provides an insight into the role of organic modifiers as controllers of nucleation, growth and aggregation which significantly influence the nature and activity of the catalytic sites on Sm-FAp. Sm-FAp could also have potential as photoactive material. Full article