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Intra-Ring Bridging:A Strategy for Molecular Design of Highly Energetic Nitramines

Chinese Journal of Chemistry 2021年第10期39卷 2857-2864页

作者： Linyuan Wen Tao Yu Weipeng Lai Jinwen Shi Maochang Liu Yingzhe Liu Bozhou Wang State Key Laboratory of Fluorine&Nitrogen Chemicals Xi'an Modern Chemistry Research InstituteXi'anShaanxi710065 China International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'anShaanxi 710049China

Main observation and conclusion Important progress has been made in the development of energetic molecules with high performance by computer-aided molecular design in recent years,but structural novelty of organic scaffolds is *** this work,we propose an intra-ring bridging strategy inspired by the known energetic nitramines to design novel polycyclic and cage energetic *** than 100 energetic structures were designed by introducing the C—C bridges and increasing the ring *** synthesis difficulty is considered besides the two most concerned properties of EMs,energy and *** a comprehensive estimation,a symmetric cage molecule labeled as 8U-30 was finally selected because of its relatively high detonation performance,and comparable impact sensitivity as well as synthetic accessibility with ***,the proposed strategy could be utilized in further molecular design to gain various scaffolds,especially cage structures,for different demands.

关键词： Molecular modeling Energetic materials Cage compounds Computational chemistry Nitramines

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Numerical Investigation on Isolated Moving Charged Droplet Evaporation in Electrostatic Field with Highly Volatile R134a 15

Numerical Investigation on Isolated Moving Charged Droplet E...

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15th Triennial International Conference on Liquid Atomization and Spray Systems, ICLASS 2021

作者： Tian, Jiameng Wang, Junfeng Chen, Bin School of Energy and Power Engineering Jiangsu University Zhenjiang China State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an China

Fundamental investigations of the charged droplet evaporation are helpful in enhancing the cooling capability and advancing the electrostatic spray model, whereas the corresponding data with the highly volatile R134a under electric field is very scarce. In this work, an improved evaporation model accounting for the effects of the corona wind, Coulombic fission and electric force under the electric field was developed and validated to evaluate the importance of the electric field on the moving charged R134a droplet evaporation for the first time. Results demonstrated that the electrostatic field can improve the charged droplet evaporation by means of the heat and mass transfer enhancement by the corona wind and counteracting the drag force from air. The droplet lifetime was shortened by 20.8% (from 105.6 ms to 83.6 ms) when the applied voltage increased from 0 kV to 10 kV. Exponential decay in the charged droplet lifetime when the applied voltage increased was observed. © 2021 ICLASS 2021 - 15th Triennial International Conference on Liquid Atomization and Spray Systems. All Rights Reserved.

关键词： Drops

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Comparative experimental study on dynamic characteristics of bubble microlayers in small channel flow boiling and pool boiling 6

Comparative experimental study on dynamic characteristics of...

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6th International Conference on Fluid Mechanics and Industrial Applications, FMIA 2022

作者： Shen, Zhongxiang Gao, Ming Dong, Wuhan Zhang, Lixin Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering School of Energy and Power Engineering University of Shanghai for Science and Technology Shanghai200093 China

The microlayer present at the bottom of the bubble plays a very important role in heat transfer during nucleation boiling. In this paper, the dynamic characteristics of microlayer at the bottom of boiling bubble in a small channel were studied by laser interferometry method and high speed camera, and the results were compared with pool boiling experiments. The results show that the bubbles have an obvious tendency to slip in the flow boiling. The microlayer interference fringe is deformed and no longer a complete Newtonian ring. By analyzing the thickness distribution of microlayer in different directions in flow boiling and the change of micro-contact angle in the flow direction, it was found that the micro-contact angle in the flow direction became larger with the growth of bubbles. © Published under licence by IOP Publishing Ltd.

关键词： Contact angle

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Numerical simulation of ignition of coke-oven gas on an industry boiler

Numerical simulation of ignition of coke-oven gas on an indu...

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International Conference on Frontiers of Energy, Materials and Information engineering, ICFMEI 2014

作者： Shi, Hong Wei Wang, Shuai Wang, Dong Zhang, Xing Kai State key lab of multiphase flow in power engineering Xi'an jiaotong university Xi’an China

ISBN: (纸本)9783038352778

Some coking plants discharge coke-oven gas to the environment,this pollute the *** order to solute the problem,the paper proposed a method:using coke-oven gas instead of light oil to ignite the *** virtue of doing this was to save *** FLUENT software package to simulate ignition in boiler is a effective mean,it can show the distribution of temperature in the *** simulation result shows that using CFD methods can provide ideas for the operation of the boiler. © (2014) Trans Tech Publications, Switzerland.

关键词： Computational fluid dynamics

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Heat Transfer Prediction of Supercritical Carbon Dioxide in Vertical Tube Based on Artificial Neural Networks

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Journal of Thermal Science 2021年第5期30卷 1751-1767页

作者： ZHU Bingguo ZHU Xinjie XIE Jian XU Jinliang LIU Huan Key Laboratory of Power Station Energy Transfer Conversion and System North China Electric Power UniversityMinistry of EducationBeijing102206China School of Mechanical&Electronical Engineering Lanzhou University of TechnologyLanzhou730050China Beijing Key Laboratory of Multiphase Flow and Heat Transfer for Low Grade Energy Utilization North China Electric Power UniversityBeijing102206China

Accurate prediction of supercritical CO_(2)(scCO_(2))heat transfer is important for heat exchanger design and safe operation of scCO_(2)power *** main prediction method is empirical *** paper demonstrates an alternative way by artificial neural networks(ANN)model with two hidden *** assess widely cited correlations and newly developed ANN model,scCO_(2)heat transfer experiment in vertical tube with pressure up to 20.8 MPa was performed to extend experiment database,which includes 2674 *** with empirical correlations,the ANN model is promising for following advantages:(1)ANN model has much better prediction *** mean relative error,mean absolute relative error and the root-mean-square relative error between predicted and measured wall temperatures are eA=0.38%,eR=4.88%and eS=7.29%,respectively.(2)ANN model performs faster computation speed.(3)ANN model can accurately and speedily predict scCO_(2)heat transfer performance for both normal heat transfer and heat transfer deterioration *** trained ANN program is provided with this paper,which is a useful tool and can be directly applied in engineering of scCO_(2)heat transfer.

关键词： supercritical CO_(2) heat transfer prediction ANN model correlations

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Novel Cu_3P/g-C_3N_4 p-n heterojunction photocatalysts for solar hydrogen generation

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Science China Materials 2018年第6期61卷 861-868页

作者： Zhixiao Qin Menglong Wang Rui Li Yubin Chen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University

Developing efficient heterostructured photocatalysts to accelerate charge separation and transfer is crucial to improving photocatalytic hydrogen generation using solar energy. Herein, we report for the first time that p-type copper phosphide（Cu3P） coupled with n-type graphitic carbon nitride（g-C3N4） forms a p-n junction to accelerate charge separation and transfer for enhanced photocatalytic *** optimized Cu3P/g-C3N4 p-n heterojunction photocatalyst exhibits 95 times higher activity than bare g-C3N4, with an apparent quantum efficiency of 2.6% at 420 nm. A detail analysis of the reaction mechanism by photoluminescence,surface photovoltaics and electrochemical measurements revealed that the improved photocatalytic activity can be ascribed to efficient separation of photo-induced charge carriers. This work demonstrates that p-n junction structure is a useful strategy for developing efficient heterostructured photocatalysts.

关键词： photocatalysis copper phosphide p-n junction heterostructure hydrogen production

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A research on ignition of a boiler by using coke-oven gas instead of light oil and alternation of the boiler

A research on ignition of a boiler by using coke-oven gas in...

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International Conference on Frontiers of Energy, Materials and Information engineering, ICFMEI 2014

作者： Shi, Hong Wei Zhang, Xing Kai Wang, Dong Wang, Shuai State key lab of multiphase flow in power engineering Xi’an jiaotong university Xi’an China

ISBN: (纸本)9783038352778

In order to solute the question of boiler ignition in thermal electrical factory of an Aluminun plant, Coke-oven gas was used to substitute for ligtht oil. At the same output of boiler, the cost of start up can be reduced;at low boiler output coke-oven gas can be used to ignite coal, and the ignition was steady. Once upon a time, the coke-oven gas was ignited directly in the air, it wasted energy and caused envirnmental pollution. The coke-oven gas guns were placed in the under secondary air and the middle secondary air, the output of single gas gun was 800Nm3/h;the virtue of the arrangement was to prevent coke-oven gas consuming so much air for the coal. © (2014) Trans Tech Publications, Switzerland.

关键词： Coke

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A study on preparation coated‐CdS photocatalyst and continuous reaction system

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AIP Conference Proceedings 2010年第1期1207卷 1053-1059页

作者： J. G. Jiang H. Liu L. J. GUO aState Key Laboratory of Multiphase Flow in power Engineering Xi’an Jiaotong University China bState Key Laboratory of Multiphase Flow in power Engineering Xi»an Jiaotong University China cStake Key Laboratory of Multiphase Flow in power Engineering Xi’an Jiaotong University China

CdS is the most wildly used photocatalyst for effective hydrogen production at present. However there are two major problems existed that restricted its industrial application. One is the fixation of photocatalyst, and the other is to design a continuous photocatalytic reactor. The two problems were studied as follows:Two kinds of beading (d = 100 nm and d = 500 nm) coated‐CdS were prepared by calcining with different temperature. The samples were characterized by several methods. Coalescent intensity of CdS‐beading was analyzed by continuous stir for 20 hours, then weigh the dried samples to determine the weight removed in continuous stir. All the prepared fixed‐CdS photocatalyst were characterized by XRF and their photocatalytic activity were evaluated by H2 evolution from water under visible light. The thickness of CdS on the beading surface was estimated by a simple mathematical model.A novel continuous reactor was designed and manufactured for the experimental production hydrogen. Then the fixed photocatalyst was used to test the performance of the reactor, and found the best experimental parameter (the rotate speed of magnetic stirrer is 700 r/min, pump speed is 20 r/min).

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Experimental study of heat transfer of ultra-supercritical pressure water in vertical upward internally ribbed tube

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High Technology Letters 2007年第1期13卷 17-22页

作者：王为术 Chen Tingkuan Luo Yushan　 Gu Hongfang Yin Fei National Key Laboratory of Multiphase Flow in Power Engineering Xi＇ an Jiaotong University Xi＇ an 710049 P.R. China School of Power Electric North China Institute of Water Conservancy and Hydroelectric Power Zhengzhou 450011 P.R. China

Under ultra-supercritical pressure, the heat transfer characteristics of water in vertical upward 4- head internally ribbed tubes with a diameter of 28.65mm and thickness of 8mm were experimentally studied. The experiments were performed at P = 25- 34MPa, G = 450- 1800kg/（m^2·s） and q = 200 600kW/m^2. The results show that the pressure has only a moderate effect on the heat transfer of uhra-supercritical water when the water temperature is below the pseudocritical point. Sharp rise of the wall temperature near the pesudocritical region occurs earlier at a higher pressure. Increasing the mass velocity improves the heat transfer with a much stronger effect below the pesudocritical point than that above the pesudocritical point. For given pressure and mass velocity, the inner wall heat flux also shows a significant effect on the inner wall temperature, with a higher inner wall heat flux leading to a higher inner wall temperature. Increasing of inner wall heat flux leads to an early occurrence of sharp rise of the wall temperature. Correlations of heat transfer coefficients are also presented for vertical upward internally ribbed tubes.

关键词： heat transfer supercritieal ultra-supereritieal vertical upward internally fibbed tube

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Research on the collapse process of a near-wall bubble

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Journal of Hydrodynamics 2023年第5期35卷 899-912页

作者： Bing Zhu Wang Han Wen-jun Xu Wei Zhang University of Shanghai for Science and Technology Shanghai200093China Shanghai Key Laboratory of Power Energy in Multiphase Flow and Heat Transfer Shanghai200093China Marine Design and Research Institute of China Shanghai200011China

The effect of wall on the bubble collapse is significant. A compressible numerical simulation method based on the state equation was used to numerically calculate the collapse process of bubbles at different leaving wall distances. The results show that when the dimensionless distance between the bubble center and the wall is greater than zero, the bubble generates a high-pressure region at the top of the interface, which induces a jet toward the wall. When the dimensionless distance is less than zero, the jet is generated from the vicinity of the contact position between the bubble and the wall and moves along the wall towards the center axis of the bubble. When the dimensionless distance is equal to zero, that is, the center of the bubble coincides with the center of the wall, the bubble shrinks uniformly, and its collapse process is consistent with that of a single bubble in free space under the same parameter conditions. Comparison of these three typical cases of dimensionless distance from the wall reveals that the presence of the wall induces an asymmetric effect and a pressure gradient effect in the flow field around the bubble, and the farthest point away from the center of the attached wall is a high-pressure region, which induces destabilization of the bubble interface and the occurrence of jets.

关键词： Bubble collapse compressible simulation shock wave propagation jet flow direction

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