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排序方式: 共有5290条查询结果,搜索用时 15 毫秒
1.
A numerical model was developed and validated to investigate the fluid–structure interactions between fully developed pipe flow and core–shell-structured microcapsule in a microchannel. Different flow rates and microcapsule shell thicknesses were considered. A sixth-order rotational symmetric distribution of von Mises stress over the microcapsule shell can be observed on the microcapsule with a thinner shell configuration, especially at higher flow rate conditions. It is also observed that when being carried along in a fully developed pipe flow, the microcapsule with a thinner shell tends to accumulate stress at a higher rate compared to that with a thicker shell. In general, for the same microcapsule configuration, higher flow velocity would induce a higher stress level over the microcapsule shell. The deformation gradient was used to capture the microcapsule's deformation in the present study. The effect of Young's modulus on the microcapsule shell on the microcapsule deformation was investigated as well. Our findings will shed light on the understanding of the stability of core–shell-structured microcapsule when subjected to flow-induced shear stress in a microfluidic system, enabling a more exquisite control over the breakup dynamics of drug-loaded microcapsule for biomedical applications. 相似文献
2.
Hao Sun Cunlu Dong Aijun Huang Prof. Haijuan Zhan Dr. Gang Wang Prof. Wanyi Liu Prof. Baojun Ma Prof. Wei Wang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(28):e202200019
Transition metal Fe, Co, Ni and Cu doped strontium titanate-rich SrTiO3@TiO2 (STO@T) materials were prepared by hydrothermal method. The prepared doped materials exhibit better photocatalytic CO2 reduction to CH4 ability under visible light conditions. Among them, Fe-doped and undoped SrTiO3@TiO2 under visible light conditions CO2 reduction products only CO, while M-STO@T (M=Co, Ni, Cu) samples converted CO2 to CH4. The average methane yield of Ni-doped STO@T samples are as high as 73.85 μmol g−1 h−1. The production of methane is mainly due to the increase in the response of the doped samples to visible light. And the increase in the separation rate of photogenerated electrons and holes and the efficiency of electron transport caused by the generation of impurity levels. The impurity level caused by Ti3+ plays an important role in the production of methane by CO2 visible light reduction. Ni doping effectively improves the photocatalytic performance of STO@T and CO2 reduction mechanism were explained. 相似文献
3.
Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand 下载免费PDF全文
Zhengran Wang 《中国物理 B》2022,31(4):48202-048202
Excited-state double proton transfer (ESDPT) in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol (HYDRAVH2) ligand was studied by the density functional theory and time-dependent density functional theory method. The analysis of frontier molecular orbitals, infrared spectra, and non-covalent interactions have cross-validated that the asymmetric structure has an influence on the proton transfer, which makes the proton transfer ability of the two hydrogen protons different. The potential energy surfaces in both S0 and S1 states were scanned with varying O-H bond lengths. The results of potential energy surface analysis adequately proved that the HYDRAVH2 can undergo the ESDPT process in the S1 state and the double proton transfer process is a stepwise proton transfer mechanism. Our work can pave the way towards the design and synthesis of new molecules. 相似文献
4.
Sergey I. Lopatin Sergey M. Shugurov Andrej I. Panin 《Journal of mass spectrometry : JMS》2019,54(6):507-519
Gaseous CePO2 has been identified by Knudsen effusion mass spectrometry during vaporization of CeO2 and magnesium diphosphate from tungsten double, two‐temperature effusion cell. Structure and molecular parameters of gaseous cerium phosphate under study were determined using quantum chemical calculations. On the basis of equilibrium constants measured for gas‐phase reaction, standard formation enthalpy of CePO2 was determined to be ?508 ± 41 kJ ? mol?1 at the temperature 298 K. 相似文献
5.
Xiao Liang Mei Chen Qian Wang Shaojun Guo Huai Yang 《Angewandte Chemie (International ed. in English)》2019,58(9):2799-2803
Perovskite nanocrystals (PNCs) are emerging luminescent materials due to their fascinating physic‐optical properties. However, their sensitive surface chemistry with organic polar solvents, oxygen, and moisture greatly hinders their developments towards practical applications. Herein we promote silica‐passivated PNCs (SP‐PNCs) by in situ hydrolyzing the surface ligands of (3‐aminopropyl) triethoxysilane. The resultant SP‐PNCs possesses a high quantum yield (QY) of 80 % and are precipitable by polar solvents, such as ethanol and acetone, without destroying their surface chemistry or losing QY, which offers an eco‐friendly and efficient method for separation, purification, and phase transfer of PNCs. Moreover, we further promoted a swelling–deswelling encapsulation process to incorporate the as‐made SP‐PNCs into non‐crosslinked polystyrene microspheres (PMs), which can largely increase the stability of the SP‐PNCs against moisture for long‐term storage. 相似文献
6.
The long-term stability remains one of the main challenges for the commercialization of the rapidly developing hybrid organic-inorganic perovskite solar cells. Herein, we investigate the electronic and optical properties of the recently reported hybrid halide perovskite (CH2)2NH2PbI3 (AZPbI3), which exhibits a much better stability than the popular halide perovskites CH3NH3PbI3 and HC(NH2)2PbI3, by using density functional theory (DFT). We find that AZPbI3 possesses a band gap of 1.31 eV, ideal for single-junction solar cells, and its optical absorption is comparable with those of the popular CH3NH3PbI3 and HC(NH2)2PbI3 materials in the whole visible-light region. In addition, the conductivity of AZPbI3 can be tuned from efficient p-type to n-type, depending on the growth conditions. Besides, the charge-carrier mobilities and lifetimes are unlikely hampered by deep transition energy levels, which have higher formation energies in AZPbI3 according to our calculations. Overall, we suggest that the perovskite AZPbI3 is an excellent candidate as a stable high-performance photovoltaic absorber material. 相似文献
7.
In the present work, the use of cylindrical turbulators in a double pipe heat exchanger has been investigated. Cylindrical fin type of turbulators has been placed circumferentially separated by 90° on the outer side of an inner pipe at a regular pitch. Experimental studies were undertaken for different air flow rates in a turbulent regime whose Reynolds number range between 2500 and 10000. Heat transfer characteristics like Nu and friction factor have been experimentally determined. Parametric studies were conducted by changing the pitch and also the orientation of the turbulators. Nu and friction factor were found to increase as the pitch is reduced. A model with alternatively changed orientation outperformed others by exhibiting highest Nu and reduced friction factor. 相似文献
8.
This study presents a simple and green dispersive micro‐solid phase extraction method for preconcentration of acidic quinolones from honey prior to high performance liquid chromatography determination. A two‐dimensional nanostructured zinc‐aluminum layered double hydroxide was synthesized and used as the sorbent for dispersive micro‐solid phase extraction. Its different characteristics from conventional sorbents is that it is dissolvable in acidic solution (pH < 4). After the extraction, the analyte elution step was omitted and thus the use of organic solvents was avoided. The key parameters influencing the extraction efficiency such as the amount of sorbent, pH of sample solution, vortex time, type and volume of acidic solution were investigated and optimized. The method exhibited low limits of detection (3.0?5.0 ng/g), good linearity (10?2000 ng/g) with coefficients of determinations higher than 0.9991, acceptable precision (RSD<9.1%) and accuracy (RE<5.8%). The proposed method is fast, efficient, eco‐friendly, and suitable for the determination of acidic quinolones in honey samples. 相似文献
9.
Jialong Duan Yudi Wang Xiya Yang Qunwei Tang 《Angewandte Chemie (International ed. in English)》2020,59(11):4391-4395
Improved charge extraction and wide spectral absorption promote power conversion efficiency of perovskite solar cells (PSCs). The state‐of‐the‐art carbon‐based CsPbBr3 PSCs have an inferior power output capacity because of the large optical band gap of the perovskite film and the high energy barrier at perovskite/carbon interface. Herein, we use alkyl‐chain regulated quantum dots as hole‐conductors to reduce charge recombination. By precisely controlling alkyl‐chain length of ligands, a balance between the surface dipole induced charge coulomb repulsive force and quantum tunneling distance is achieved to maximize charge extraction. A fluorescent carbon electrode is used as a cathode to harvest the unabsorbed incident light and to emit fluorescent light at 516 nm for re‐absorption by the perovskite film. The optimized PSC free of encapsulation achieves a maximum power conversion efficiency up to 10.85 % with nearly unchanged photovoltaic performances under 80 %RH, 80 °C, or light irradiation in air. 相似文献
10.