Structural regulation and polishing performance of dendritic mesoporous silica (D-mSiO2) supported with samarium-doped cerium oxide composites

Ceria (CeO₂) particles are prevalent polishing abrasive materials. Trivalent lanthanide ions are the popular category of dopants for enriched surface defects and thus improved physicochemical properties, since they are highly compatible with CeO₂ lattices. Herein, a series of dendritic-like mesoporous silica (D-mSiO₂)-supported samarium (Sm)-doped CeO₂ nanocrystals were synthesized via a facile chemical precipitation method. The relation of the structural characteristics and chemical mechanical polishing (CMP) performances were investigated to explore the effect of Sm-doping amounts on the D-mSiO₂/Sm_xCe_1?xO_2?δ (x = 0–1) composite abrasives. The involved low-modulus D-mSiO₂ cores aimed to eliminate surface scratch and damage, resulting from the optimized contact behavior between abrasives and surfaces. The trivalent cerium (Ce³⁺) and oxygen vacancy (V_O) at CeO₂ surfaces were expected to be reactive sites for the material removal process over SiO₂ films. The optimal oxide-CMP performances in terms of removal efficiency and surface quality were achieved by the 40% Sm-doped composite abrasives. It might be attributed to the high Ce³⁺ and V_O concentrations and the enhancement of tribochemical reactivity between CeO₂SiO₂ interfaces. Furthermore, the relationship between the surface chemistry, polishing performance as well as the actual role in oxide-CMP of the D-mSiO₂/Sm_xCe_1?xO_2?δ abrasives were also discussed.     

Facile synthesis of Ti3C2 MXene-modified Bi2.15WO6 nanosheets with enhanced reactivity for photocatalytic reduction of Cr(VI)

Through a facile hydrothermal method, we have successfully prepared Ti₃C₂/Bi_2.15WO₆ (TC/BWO) composite, and systematically investigated their reactivity for the photocatalytic reduction of Cr(VI) under visible light. X-ray diffraction and Raman analysis confirm the formation of heterostructure between Bi_2.15WO₆ and Ti₃C₂. The resultant 7TC/BWO composite exhibits enhanced photoactivity toward Cr(VI) reduction. After 120 min irradiation, the conversion of Cr(VI) reaches 92.5% with the quasi-first-order kinetic constant of k = 0.0145 min^?1, which is higher than that of pure BWO (30% and k = 0.0005 min^?1). The electrochemical and photoluminescent characterization confirm that the introduction of Ti₃C₂ is conducive to the separation of carriers, thus significantly improves the photocatalytic performance of TC/BWO. Furthermore, the radical capture experiments verify that the electrons are important for enhancing reduction of Cr(VI) to Cr(III). As a result, this research provides a comprehensive understanding of the reduction of Cr(VI) by TC/BWO composite under visible light.     

Numerical study on laminar burning velocity of ammonia flame with methanol addition

The combustion characteristics of ammonia/methanol mixtures were investigated numerically in this study. Methanol has a dramatic promotive effect on the laminar burning velocity (LBV) of ammonia. Three mechanisms from literature and another four self-developed mechanisms constructed in this study were evaluated using the measured laminar burning velocities of ammonia/methanol mixtures from Wang et al. (Combust.Flame. 2021). Generally, none of the selected mechanisms can precisely predict the measured laminar burning velocities at all conditions. Aiming to develop a simplified and reliable mechanism for ammonia/methanol mixtures, the constructed mechanism utilized NUI Galway mechanism (Combust.Flame. 2016) as methanol sub-mechanism and the Otomo mechanism (Int. J. Hydrogen. Energy. 2018) as ammonia sub-mechanism was optimized and reduced. The reduced mechanism entitled ‘DNO-NH3’, can accurately reproduce the measured laminar burning velocities of ammonia/methanol mixtures under all conditions. A reaction path analysis of the ammonia/methanol mixtures based on the DNO-NH3 mechanism shows that methanol is not directly involved in ammonia oxidation, instead, the produced methyl radicals from methanol oxidization contribute to the dehydrogenation of ammonia. Besides, NO_x emission analysis demonstrates that 60% methanol addition results in the highest NO_x emissions. The most important reactions dominating the NO_x consumption and production are identified in this study.     

Heterofullerene C48B12-impregnated MOF-5 and IRMOF-10 for hydrogen storage: A combined DFT and GCMC simulations study

The H₂ storage properties of isoreticular metal-organic framework materials (IRMOFs), MOF-5 and IRMOF-10, impregnated with different numbers and types of heterogeneous C₄₈B₁₂ molecules were investigated using density functional theory and grand canonical Monte Carlo (GCMC) calculations. The excess hydrogen adsorption isotherms of IRMOFs at 77 K within 20 bar indicate that suitable number and type of C₄₈B₁₂ molecules play a crucial role in improving the H₂ storage properties of IRMOFs. Among the studied pure and nC₄₈B₁₂ (n = 1, 2, 4, 8) in Ci symmetry impregnating into MOF-5, at 77 K under 6 bar, MOF-5-4C₄₈B₁₂ with a 3.5 wt% and 29.9 g/L hydrogen storage density, and at 77 K under 12 bar, the pure MOF-5 with a 4.9 wt% and 31.0 g/L hydrogen storage density has the best hydrogen storage properties. Whereas, among the studied pure and nC₄₈B₁₂ (n = 1, 2, 4, 8) in S6 symmetry impregnating into IRMOF-10, IRMOF-10-8C₄₈B₁₂ always shows the best hydrogen storage properties among the pure and C₄₈B₁₂-impregnated IRMOF-10 at 77 K within 20 bar. IRMOF-10-8C₄₈B₁₂ has a 6.0 wt% and 34.6 g/L hydrogen storage density at 77 K under 6 bar, and has a 7.1 wt% and 41.4 g/L hydrogen storage density at 77 K under 12 bar. The confinement effect of IRMOFs on C₄₈B₁₂ molecules, and steric hindrance effect of C₄₈B₁₂ molecules on IRMOFs mainly affects the H₂ uptake capacity by comparing the absolute H₂ molecules in individual IRMOFs units, C₄₈B₁₂ molecules, and IRMOFs-nC₄₈B₁₂ compounds. The absolute hydrogen adsorption profiles show that eight C₄₈B₁₂ molecules impregnating into MOF-5 can exert obvious steric effects for H₂ adsorption. The saturated gravimetric and volumetric H₂ densities of IRMOF-10-8C₄₈B₁₂ higher than those of MOF-5-8C₄₈B₁₂ due to with larger free volume.     

A high-throughput chaotic advection microreactor for preparation of uniform and aggregated barium sulfate nanoparticles

A high-throughput (105.5 g/h) passive four-stage asymmetric oscillating feedback microreactor using chaotic mixing mechanism was developed to prepare aggregated Barium sulfate (BaSO₄) particles of high primary nanoparticle size uniformity. Three-dimensional unsteady simulations showed that chaotic mixing could be induced by three unique secondary flows (i.e., vortex, recirculation, and oscillation), and the fluid oscillation mechanism was examined in detail. Simulations and Villermaux–Dushman experiments indicate that almost complete mixing down to molecular level can be achieved and the prepared BaSO₄ nanoparticles were with narrow primary particle size distribution (PSD) having geometric standard deviation, σ_g, less than 1.43 when the total volumetric flow rate Q_total was larger than 10 ml/min. By selecting Q_total and reactant concentrations, average primary particle size can be controlled from 23 to 109 nm as determined by microscopy. An average size of 26 nm with narrow primary PSD (σ_g = 1.22) could be achieved at Q_total of 160 ml/min.     

塔里木盆地塔西南坳陷柯东构造带甫沙4井原油来源及充注过程

甫沙4井位于塔里木盆地塔西南坳陷昆仑山前冲断带的柯东构造带上，北部和东部分别发育有柯克亚和柯东1井油气田。为研究甫沙4井原油来源与充注过程，对原油样品和连续抽提后的含油砂样各组分（游离态、束缚态、包裹体）进行GC、GC?MS和 GC?IRMS分析，与柯克亚凝析油气田油样进行油—油对比。结果表明：甫沙4井晚期充注原油组分具有C_29?32重排藿烷、重排甾烷和Ts相对含量高，C_27?29甾烷ααα 20R分布呈反“L”型，以及正构烷烃单体碳同位素值较低等特征，与柯克亚凝析油气田来源于二叠系普司格组（P_2?3p）烃源岩的主体原油（I类）地球化学特征一致。而早期充注的原油组分具有重排藿烷、重排甾烷和Ts相对含量较低，C_27?29甾烷ααα 20R分布呈“V”型，以及正构烷烃单体碳同位素值较高等特征，与柯克亚凝析油气田来源于中—下侏罗统湖相泥岩的II类原油地球化学特征一致。甫沙4井经历3个阶段成藏过程：①在上新世，二叠系烃源岩于生油晚期阶段生成的I类原油运移至柯克亚构造带或柯东构造带深部形成油藏；②在更新世早期，侏罗系烃源岩于生油早—中期生成的II类原油运移至甫沙4井白垩系储层；③在第四纪，强烈的构造作用使深部I类原油沿断裂调整进入甫沙4井白垩系储层。最终造成甫沙4井白垩系储层II类原油先充注，I类原油后充注的特殊现象。     

Experimental research on combined effect of obstacle and local spraying water fog on hydrogen/air premixed explosion

In order to reveal the mechanism of water fog explosion suppression and research the combined effect of water fog and obstacle on hydrogen/air deflagration, multiple sets of experiments were set up. The results show that the instability of thermal diffusion under lean combustion conditions is the main influencing factor of hydrogen/air flame surface instability, and the existence of water fog will aggravate the hydrogen/air flame surface instability. When obstacle is not considered, 8 μm, 15 μm, 30 μm water fog can significantly reduce the flame velocity and explosion overpressure of hydrogen/air, 45 μm fine water fog plays the opposite role. When considering the relative position of the water fog release position and the obstacle, the 8 μm, 15 μm, 30 μm water fog has almost no suppression effect when released near the obstacle, but a significant suppression effect occur, when using the 45 μm water fog. In the field of theoretical research, the research results not only provide an experimental basis for the fine water fog to reduce the consequences of hydrogen explosion accidents, and the optimal diameter range used by the water fog, but also provide experimental reference for the numerical simulation of hydrogen/air explosion suppression in semi-open space, and promote the development of hydrogen explosion suppression theory. In terms of engineering applications, this study can provide a theoretical basis for the layout of fire fighting equipment in the engine room of nuclear power plants or hydrogen-powered ships.     

Structural,electrical, and linear/nonlinear optical characteristics of thermally evaporated molybdenum oxide thin films

Homogeneous thin films of Molybdenum oxide (MoO₃) were grown on quartz and glass substrates using the thermal evaporation method. XRD results showed that the MoO₃ powder has a polycrystalline structure with an orthorhombic crystal system whereas the MoO₃ thin films have amorphous nature. SEM images showed that the MoO₃ thin films have a nearly uniform surfaces with worm-like shape grains. The film thickness influences on the linear and nonlinear optical characteristics of MoO₃ thin films that were examined using spectrophotometric measurements and from which, the linear optical constants of the MoO₃ thin films were estimated. The electronic transition type was determined as a direct allowed one. The values of the optical band gap were obtained to be in the range of 3.88–3.72 eV. The dispersion parameters, third-order nonlinear optical susceptibility, and the nonlinear refractive index of the MoO₃ thin films were determined and interpreted in the light of the single oscillator model. The temperature dependence of the DC electrical conductivity and the corresponding conduction mechanism for the MoO₃ films were investigated at temperatures ranging from 303 to 463 K.     

High Q×f values of Zn-Ni co-modified LiMg0.9Zn0.1-xNixPO4 microwave dielectric ceramics for 5G/6G LTCC modules

In this work, Zn-Ni co-modified LiMg_0.9Zn_0.1-xNi_xPO₄ (x = 0–0.1) microwave dielectric ceramics were fabricated using a solid state synthesis route. Rietveld refinement of the XRD data revealed that all ceramic samples have formed a single phase with olivine structure. SEM images showed that the samples have a dense microstructure, that agrees with the measured relative density of 97.73 %. Based on the complex chemical bond theory, Raman and infrared reflectance spectra, we postulate that ε_r is mainly affected by the ionic polarizability, lattice and bond energy, while P-O bond plays a decisive role in Q×f and τ_f value. Optimum properties of Q×f ~ 153,500 GHz, ε_r ~ 7.13 and τ_f ~ ?59 ppm/°C were achieved for the composition LiMg_0.9Zn_0.06Ni_0.04PO₄ sintered at 875 ℃ for 2 h. This set of properties makes these ceramics an excellent candidate for LTCC, wave-guide filters and antennas for 5 G/6 G communication applications.     

Understanding on the hydrogen detection of plasma sprayed tin oxide/tungsten oxide (SnO2/WO3) sensor

The plasma spray technique was well proven in producing metal oxide based gas sensors in the last two decades using different powder feedstocks. However, limited research was made to fabricate hydrogen gas sensor from tin oxide layer coated over tungsten oxide layer. This paper attempts to interpret the hydrogen gas sensing performances of plasma sprayed coating derived by depositing tin oxide layer over tungsten oxide (SnO₂/WO₃) layer. Plasma sprayed SnO₂/WO₃ sensor showed maximum response of 90% at 150 °C in contrast to stand-alone WO₃ (89% at 350 °C) and stand-alone SnO₂ (89% at 250 °C). The lower operating temperature of SnO₂/WO₃ sensor without compromising gas response was attributed to the WO₃–SnO₂ hetero-junction. SnO₂/WO₃ sensor showed selective sensing towards hydrogen with respect to carbon monoxide and methane gases. This sensor also possessed repeatable characteristics after 39 days from the initial measurement. In a nut-shell, plasma spayed SnO₂/WO₃ sensor showed stability of base resistance, repeatability after successive response and recovery cycles, selective sensing towards 500 ppm H₂ with significant magnitude of gas response of 90%, response time of 35 s and recovery time of 269 s at a temperature of 150 °C.