A novel combustion fuel for the synthesis of nanocrystalline ZnAl2O4 particles based on the thermodynamic correlations and their structural and optical studies

ZnAl₂O₄ nanocrystalline particles were prepared using the solution combustion method using a new combustion fuel, Leucine. The prepared samples' structural, microstructural–elemental composition, and optical characteristics were investigated using XRD, SEM-EDS, and UV–Visible spectroscopy. As-synthesized ZnAl₂O₄ nanoparticles are polycrystalline, with no secondary phases, and crystallized in a cubic - spinel structure. The polycrystalline nature of the prepared sample is due to the exothermicity of fuel and oxidizer, which demonstrate that the fuel utilized (Leucine) provided adequate energy for the production of nanoparticles in their as-synthesized form, as supported by adiabatic temperature through thermodynamic calculations. The thermodynamic calculations also include a universal method to estimate the specific heat capacity at constant pressure. Furthermore, even after 2 h of calcination at 600 °C, ZnAl₂O₄ exhibits a single phase with no secondary phases, indicating the material stability and single-phase nature. The crystallinity of ZnAl₂O₄ nanoparticles was observed to increase with increasing annealing temperature. SEM micrographs of as-synthesized samples exhibit the formation of dense particles, voids, and pores in the as-synthesized sample. In addition, tiny aggregates were detected on the surface of more prominent clusters, which reduced as the calcination progressed. In addition, calcined samples exhibit a greater optical reflectance than as-synthesized samples. Tauc's graphs were used to compute the optical energy bandgap. The calculated energy band gap is redshifted to that of the bulk material. The bandgap energy decreases upon calcination, suggesting that the prepared materials have a larger crystallite size or more crystallinity. Correlations were found between the T_ad, and the structural and optical properties of the prepared samples. The findings suggest that Leucine could be used as a novel combustion fuel to produce crystalline ZnAl₂O₄ nanoparticles in their as-synthesis form.     

Crystallization behavior and density functional theory study of solution combustion synthesized silicon doped calcium phosphates

The influence of heat-treatment temperatures (700 °C, 900°C, 1200 °C) on the phase, physical properties, crystallization rate, and in vitro properties of the solution combustion synthesized silicon-doped calcium phosphates (CaPs) were investigated. The thermodynamic aspects (enthalpy, entropy, and free energy) of the synthesis process and the crystallographic properties of the final samples were first predicted and then confirmed using density functional theory (DFT). Results demonstrated that the crystallization rate was controlled by the fuel(s) type (glycine, citric acid, and urea) and the amounts of Si⁴⁺ ions (0, 0.1, 0.4 mol). The highest calculated crystallization rate values of the un-doped, 0.1, and 0.4 mol Si-doped samples were 64%, 22%, 38%, respectively. The obtained results from the DFT simulation revealed that crystal growth in the direction of c-axis of hydroxyapatite (HAp) structure could change the stability of (001) surface of (HAp). Also, the computational data confirmed the adsorption of Si–OH groups on the (001) surface of HAp during the SCS process with an adsorption energy of 1.53 eV. AFM results in line with DFT simulation showed that the observed change in the surface roughness of Si-doped CaPs from 2 to 8 nm could be related to the doping of Si⁴⁺ ions onto the surface of CaPs. Besides, the theoretical and experimental investigation showed that crystal growth and doping of Si⁴⁺ ions could decrease the activation energy of oxygen reduction reaction (ORR). Furthermore, the results showed that the crystallized HAp structure could have great potential to efficiently reduce oxidative stress in human body.     

Solution precursor thermal spraying of gadolinium zirconate for thermal barrier coating

Gadolinium zirconate (GZ) is an attractive material for thermal barrier coatings (TBCs). However, a single layer GZ coating has poor thermal cycling life compared to Yttria Stabilized Zirconia (YSZ). In this study, Solution Precursor High Velocity Oxy-Fuel (SP-HVOF) thermal spray was used to produce a double layer GZ/YSZ TBC and compared the thermal cycling performance with the single layer YSZ TBC. The temperature behaviour of the solution precursor GZ was studied, and single splat tests were carried out to obtain an optimised spray parameter. In thermal cycling tests, the single-layer YSZ reached 20 % failure at 85 ± 5 cycles, whereas the double-layer GZ/YSZ was at 70 ± 15 cycles. The single-layer failed at the topcoat/TGO interface, whereas the double-layer failed at GZ/YSZ interface and topcoat/TGO interface. Moreover, Gd diffusion occurred near the GZ/YSZ interface, resulting in porosities in the GZ layer.     

Alkylated indolo[3,2,1-jk]carbazoles as new building blocks for solution processable organic electronics

A facile strategy for the introduction of tert-butyl and hexyl chains to the indolo[3,2,1-jk]carbazole scaffold is presented. With these building blocks six materials based on three different 4,4′-bis(N-carbazolyl)-1,1-biphenyl derivatives with varying degree of planarization were prepared. Characterization of the materials showed that the alkyl chains have only minor effects on the photophysical properties of the compounds. In contrast, thermal robustness towards decomposition and electrochemical stability are increased by the introduced alkyl chains. Detailed investigation of the solubility in five different solvents revealed that the incorporation of the alkyl chains increases the solubility significantly. The increased solubility of the materials allowed the application as host materials in red, green and sky-blue solution processed phosphorescent organic light emitting diodes. Hence, this work presents the first solution processed light emitting devices based on the indolo[3,2,1-jk]carbazole scaffold.     

Dielectric and ferroelectric properties of multilayer BaTiO3/NiFe2O4 thin films prepared by solution deposition technique

In this work different lead-free multilayered structures, composed of perovskite BaTiO₃ and spinel NiFe₂O₄ thin layers, were obtained by solution deposition method. Structural characterization of the sintered thin films confirmed the well-defined layered structure with overall thickness from 160 to 600 nm, crystalline nature of perovskite BaTiO₃ and spinel NiFe₂O₄ phases without secondary phases (after sintering below 900 °C) and grains on nanometer scale. Dielectric properties of the multiferroic multilayer BaTiO₃/NiFe₂O₄ thin films were analyzed in temperature and frequency range from 30 °C to 200 °C and 100 Hz to 1 MHz, respectively. In comparison to the pure BaTiO₃ films, the introduction of ferrite layer reduces dielectric response and increases low frequency permittivity dispersion of the multilayer thin films. The multilayer samples have shown relatively low dielectric loss with stronger contribution of conductivity at higher temperatures, and characteristic broad peak representing “relaxation” of the interface charge accumulation.     

New empirical correlation for estimation of vaporization enthalpy of algerian saharan blend petroleum fractions

A Real-coded Genetic Algorithm has been used to develop a new correlation to estimate the enthalpy of vaporization for pure compounds and petroleum fractions as a function of the normal boiling point and specific gravity. In developing the correlation 80% of the data was used and the remaining are used for validation. The results of the proposed correlations are compared to others in literature. The comparison indicates that the proposed model is simple to use and more accurate than the most common correlations for predicting the enthalpy of vaporization of pure compounds and petroleum fractions.     

Effect of comb-type copolymer on crystallization of paraffin from waxy oils and methyl ethyl ketone (MEK) -toluene dewaxing

In this research, maleic anhydride-α-octadecene copolymer and its derivative with phenylethylamine was synthesized and its effect on the crystallization of paraffins was investigated. This derivative, when added into second cut of vacuum gas oil and forth cut of vacuum gas oil, increases the size and improves aggregation of paraffin crystals observed by polarizing light microscopy, increases onset temperature and enthalpy of paraffin crystallization determined by differential scanning calorimetry, improves the dewaxing efficiency with dosage of 100?ppm explored by MEK-toluene dewaxing.     

Synthesis of composite of graphene and UO3 composite via one-step solution chemical reaction and its application to UO2-based accident tolerant fuel

In this paper, two kinds of composites constructed by UO₃ nanoflakes (which is UO₃·yNH₃·xH₂O, precisely) and different graphene oxide (GO) nanosheets (homemade GO, GO-h, and commercial GO, GO-c) were prepared via solution chemical reaction. The two kinds of GO share similar morphology and possess the same species of functional groups. Nevertheless, GO-h possesses higher oxidization degree and thus could adsorb more uranyl ions, and the corresponding composite shows a much more regular shape: UO₃ nanoflakes and GO nanosheets cross each other, which would help overcome the disadvantage of graphene aggregation. As a result, homemade reduced graphene oxide (RGO-h) sheets inside the final UO₂ pellets (named as UO₂/GO-h) could construct a well-bulit thermally conductive network to enhance its thermal conductivity. However, similar RGO-c network cannot be observed in the UO₂/GO-c pellest originated from GO-c. Therefore, only the thermal conductivity of UO₂/GO-h pellet acquires a dramatic increase, 37.30% relative to UO₂ pellet at 1200 °C, showing that UO₂/GO-h possesses great potential for the development of novel UO₂-based ATF fuels.     

From Flood Land to New Urban Area: Water Adaptation History and Visions for Daodi Flood Land in the West of Beijing

Daodi Flood Land, located in Mentougou District of Beijing, is a relatively separate flood land in the lower reaches and on the east of Yonding River. This largest landscape character area in the west of Beijing along the river illustrates the history of human–water interaction and discloses the trends and problems of rural urbanization. Focusing on Daodi Flood Land, this paper expands the research on adaptation by introducing basic concepts and research framework, and reviews the research trends from spatial, temporal, and participant aspects. Considering the typical characters of the study area, this research employed participatory approaches, such as mapping and problem and solution trees, due to the lack of continuous and accurate data. Basing on literature review and field investigation on issues of floods, agricultural irrigation, and water resource utilization, water adaptive development visions for the study area were proposed from perspectives of landscape and culture. Finally, the paper further analyzes the structural relations between adaptation problems, natural and social systems, passive and active adaptations, and planned and unplanned adaptations, with the aim to provide reference for relevant studies and applications of adaptation approaches in other cases.