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121.
《Particuology》2016
The nanosize grain growth characteristics of spherical single-crystal titanium oxide (TiO2) during the rapid gaseous detonation reaction are discussed. Based on the experimental conditions and the Chapman–Jouguet theory, the Kruis model was introduced to simulate the growth characteristics of spherical TiO2 nanoparticles obtained under high pressure, high temperature and by rapid reaction. The results show that the numerical analysis can satisfactorily predict the growth characteristics of spherical TiO2 nanoparticles with diameters of 15–300 nm at different affecting factors, such as concentration of particles, reaction temperature and time, which are in agreement with the obtained experimental results. We found that the increase of the gas-phase reaction temperature, time, and particle concentration affects the growth tendency of spherical nanocrystal TiO2, which provides effective theoretical support for the controllable synthesis of multi-scale nanoparticles. 相似文献
122.
The dynamic string motion, which displacement is unilaterally constrained by the rigid termination condition of an arbitrary geometry has been simulated and analyzed. The treble strings of a grand piano usually terminate at a capo bar, which is situated above the strings. The apex of a V-shaped section of the capo bar defines the end of the speaking length of the strings. A numerical calculation based on the traveling wave solution is proposed for modeling the nonlinearity inducing interactions between the vibrating string and the contact condition at the point of string termination. It was shown that the lossless string vibrates in two distinct vibration regimes. In the beginning the string starts to interact in a nonlinear fashion with the rigid terminator, and the resulting string motion is aperiodic. Consequently, the spectrum of the string motion depends on the amplitude of string vibrations, and its spectral structure changes continuously with the passage of time. The duration of that vibration regime depends on the geometry of the terminator. After some time of aperiodic vibration, the string vibrations settle in a periodic regime where the resulting spectrum remains constant. 相似文献
123.
The solubility of gases in various polymers plays an important role for the design of new polymeric materials. Quantitative structure–property relationship (QSPR) models were designed to predict the solubility of gases such as CO2 and N2 in polyethylene (PE), polypropylene (PP), polystyrene (PS), polyvinyl acetate (PVA) and poly (butylene succinate) (PBS) at different temperatures and pressures by using quasi-SMILES codes. The dataset of 315 systems was split randomly into training, calibration and validation sets; random split 1 led to 214 training (r2 = 0.870 and RMSE = 0.019), 51 calibration (r2 = 0.858 and RMSE = 0.020) and 50 validation (r2 = 0.869 and RMSE = 0.017) sets. The suggested approach based on the quasi-SMILES, which are analogues of the traditional SMILES gives reasonable good predictions for solubility of CO2 and N2 in different polymers. The described methodology is universal for situations where the aim is to predict the response of an eclectic system upon a variety of physicochemical and/or biochemical conditions. 相似文献
124.
Vladimir Solozhenko 《高压研究》2013,33(2):317-318
Composite diamond anvils have been developed for high-pressure/high-temperature measurements of diamond anvil cells. The anvils are fabricated using single-crystal chemical vapor deposition (CVD) from previously used and/or slightly damaged anvils made of natural or synthetic diamond. These composite anvils can be fabricated to possess optical characteristics at least comparable to conventional diamond anvils, whereas the single-crystal CVD portion is more durable because of its enhanced toughness relative to natural diamond. The viability of such anvils is demonstrated in measurements on hydrogen at megabar pressures and high temperature. 相似文献
125.
Unexpected formation of β, meso-directly linked diporphyrin products has been described in the reactions of β-formyl porphyrins with pyrrole under Adler–Longo reaction conditions. Preliminary mechanistic studies indicates that β-dipyrromethane substituted porphyrin structure is the crucial intermediate for the formation of diporphyrin product. 相似文献
126.
127.
Therapeutic potential of the D-ring methyl ethers of (–)-epigallocatechin-3-gallate [(–)-EGCG] warrants extensive structure–activity relationship study of various D-ring ethers of (–)-EGCG but, for this purpose, efficient synthetic strategy needs to be developed. In this study, efficient preparation of the 4″-O-alkyl-(–)-EGCGs (4a–e) was demonstrated using KI/K2CO3-promoted deacetylative alkylation of peracetyl (–)-EGCG, which could be broadly utilized for the preparation of various D-ring alkyl ethers of (–)-EGCG and thereby extensive structure–activity relationship study. 相似文献
128.
129.
Yi-Hang Zhang Yong-Hai Yuan Shu-Yu Zhang Yong-Qiang Tu Jin-Miao Tian 《Tetrahedron letters》2018,59(45):4015-4018
The asymmetric intramolecular Friedel–Crafts type Michael reaction of α,β-unsaturated aldehyde with pyrrole, catalyzed by a spiropyrrolidine (SP)-type organocatalyst, has been accomplished, which allows the construction of a series of azepine and indolizine frameworks with high to excellent enantioselectivities (up to 98% ee). Moreover, the substrate scope could be extended to generate a quaternary center in indolizine frameworks (up to 96% ee). 相似文献
130.
Ling Wang Xiao-Tong Wang Jia-Huan Zhong Dr. Kang Xiao Dr. Ting Ouyang Prof. Zhao-Qing Liu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(18):5796-5802
The high charge–discharge voltage gap is one of the main bottlenecks of zinc–air batteries (ZABs) because of the kinetically sluggish oxygen reduction/evolution reactions (ORR/OER) on the oxygen electrode side. Thus, an efficient bifunctional catalyst for ORR and OER is highly desired. Herein, honeycomb-like MnCo2O4.5 spheres were used as an efficient bifunctional electrocatalyst. It was demonstrated that both ORR and OER catalytic activity are promoted by MnIV-induced oxygen vacancy defects and multiple active sites. Importantly, the multivalent ions present in the material and its defect structure endow stable pseudocapacitance within the inactive region of ORR and OER; as a result, a low charge–discharge voltage gap (0.43 V at 10 mA cm−2) was achieved when it was employed in a flexible hybrid Zn-based battery. This mechanism provides unprecedented and valuable insights for the development of next-generation metal–air batteries. 相似文献