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Synergy of porous structure and cation doping in Ta3N5 photoanode towards improved photoelectrochemical water oxidation

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Journal of Energy Chemistry 2021年第1期30卷 343-350,I0011页

作者： Yubin Chen Hongyu Xia Xiaoyang Feng Ya Liu Wenyu Zheng Lijing Ma Rui Li International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049ShaanxiChina

Herein,a cross-linked porous Ta3N5 film was prepared via a simple solution combustion route followed by a high-temperature nitridation process for photoelectrochemical(PEC) water ***,the metal cations(Mg2+ and Zr4+) were incorporated into the porous Ta3N5 to enhance the PEC *** porous Mg/Zr co-doped Ta3N5 photoanode yielded a photocurrent density of 1.40 mA cm^(-2) at 1.23 V vs RHE,which is 5.6 times higher than that of the dense Ta3N5 *** enhanced performance should be ascribed to the synergistic effect of porous structure and cation doping,which can enlarge the electrochemical active surface area and accelerate the charge transfer by introducing ON substitution ***,Co(OH)2 cocatalyst was loaded on the Mg/Zr-Ta3N5 photoanode to negatively shift the onset potential to 0.45 V vs RHE and further improve the photocurrent density to 3.5 mA cm^(-2)at 1.23 V ***,with a maximum half-cell solar to hydrogen efficiency of 0.45%.The present study provides a new strategy to design efficient Ta3N5 photoelectrodes via the simultaneous control of the morphology and composition.

关键词： Photoelectrochemical water oxidation Ta3N5 Porous structure Doping Solution combustion

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Development of a filtered drag model considering effect of the solid shear rate

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Particuology 2022年第12期71卷 63-74页

作者： Lingxue Wang Ming Jiang Qiang Zhou School of Chemical Engineering and Technology Xi'an Jiaotong UniversityXi'an710049China Engineering Research Center of New Energy System Engineering and Equipment University of Shaanxi ProvinceXi'an710049China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an710049China

This study investigates a 2D gas-solid fast fluidized bed of typical Geldart A particles using highly resolved simulations with two-fluid *** results show that the solid shear rate has a considerable impact on the orientation of the meso-scale structures and hence on the filtered drag *** the basis of the correlation for the filtered drag force established in the literature using the traditional markers(such as filtered solid volume fraction,filtered slip velocity and filter scale),a correction correlated with the solid shear rate in the direction of gravity is proposed for better prediction of the filtered drag *** corrected model is shown to produce improved results in posterior tests of flows in different fluidization regimes including bubbling,turbulent and fast fluidization.

关键词： Gas-solid flows Fluidization Two-fluid model Dimensionless solid shear rate Filtered drag force

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Filtration performance and modeling of granular bed for dust removal from coal pyrolytic vapors

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Chinese Journal of Chemical engineering 2024年第1期65卷 35-42页

作者： Shuaiqiang Yang Lin Du Guangchao Ding Runguo Liu Wenli Song Songgeng Li State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Petrochemical Engineering Yan’an Vocational and Technical CollegeYan’an 716000China Sino-Danish College University of Chinese Academy of SciencesBeijing 100049China

Dust removal from pyrolytic vapors at high temperatures is an obstacle to the industrialization of the coal pyrolysis *** this work,a granular bed with expanded perlites as filtration media was designed and integrated into a 10 t·d^(–1)coal pyrolysis *** testing results showed that around 97.56%dust collection efficiency was *** a result,dust content in tar was significantly *** pressure drop of the granular bed maintained in the range of 356 Pa to 489 *** dust size in the effluent after filtration exhibited a bimodal distribution,which was attributed to the heterogeneity of the dust *** effects of filtration bed on pyrolytic product yields were also discussed.A modified filtration model based on the macroscopic phenomenological theory was proposed to describe the performance of the granular *** computation results were well agreed with the experimental data.

关键词： Granular bed filtration Dust removal Pyrolysis Filtration Fixed-bed

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Soft coarse-grained particle model for particle-fluid systems

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Particuology 2024年第1期84卷 178-193页

作者： Yanhao Ye Ji Xu Wei Ge State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing100190China

By modeling a group of neighboring real particles as a single coarse-grained particle(CGP),discrete particle method(DPM)is now capable of simulating industrial-scale particle-fluid ***,a systematic approach to determine the CGP properties and develop their interaction models is still lacking,which casts uncertainty on the predictivity of the *** this study,collisions between predefined particle groups are analyzed to construct kernel functions for modeling the CGPs and then the model parameters are determined by equating the statistical properties of the CGPs and the real particles in the physical process *** approach is implemented for homogeneous cooling of granular gas,then demonstrated effective in simulating experimental fluidized beds.

关键词： Coarse-grain(CG) Discrete particle method(DPM) Fluidized bed Multi-scale simulation

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On the spreading behavior of a droplet on a circular cylinder using the lattice Boltzmann method

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Chinese Physics B 2024年第6期33卷 434-443页

作者：杨帆金虎戴梦瑶 School of Energy and Power Engineering University of Shanghai for Science and TechnologyShanghai 200093China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering Shanghai 200093China

The study of a droplet spreading on a circular cylinder under gravity was carried out using the pseudo-potential lattice Boltzmann high-density ratios multiphase model with a non-ideal Peng–Robinson equation of state. The calculation results indicate that the motion of the droplet on the cylinder can be divided into three stages: spreading, sliding, and *** contact length and contact time of a droplet on a cylindrical surface can be affected by factors such as the wettability gradient of the cylindrical wall, the Bond number, and droplet size. Furthermore, phase diagrams showing the relationship between Bond number, cylinder wall wettability gradient, and contact time as well as maximum contact length for three different droplet sizes are given. A theoretical foundation for additional research into the heat and mass transfer process between the droplet and the cylinder can be established by comprehending the variable rules of maximum contact length and contact time.

关键词： lattice Boltzmann methods droplet circular cylinder wettability gradient

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Recent advances in nonmetallic atom-doped metal nanocrystals:Synthesis and catalytic applications

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Chinese Chemical Letters 2021年第9期32卷 2679-2692页

作者： Ruiyun Guo Ke Zhang Shangdong Ji Yangzi Zheng Mingshang Jin Frontier Institute of Science and Technology and State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an 710049China

Metal nanocrystals have been recognized as the main catalytic materials in many fields,but insufficient activity and stability,as well as high prices,have limited their large-scale potential *** one of the extremely promising alternatives toward metal in boosting their catalytic performance,nonmetallic atoms-doped metal nanocrystals have recently received extensive attention because of their high efficiency,chemical and structural durability,abundant reserve,and low *** this review,we highlight the most recent progress in this field and provide insights into their catalytic *** metalnonmetal nanocrystals prepared by doping metal nanocrystals with nonmetallic atoms are introduced and classified based on the types of nonmetallic atoms,including metal hydrides,borides,carbides,nitrides,oxides,phosphides,and ***,their applications in catalysis,especially in electrocatalysis and organic catalysis,have been summarized and ***,the conclusions and perspectives are given for the catalysis-driven rational design of metal-nonmetal nanocrystals in this minireview.

关键词： Nonmetallic atom-doping Metal-nonmetal nanocrystals Organic catalysis Electrocatalysis Catalyst design

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On the Oxidation Mechanism of n-Dodecane under Pure Oxygen Conditions from Low to High Temperatures

On the Oxidation Mechanism of n-Dodecane under Pure Oxygen C...

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AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2025

作者： Hong, Congjie Zou, Jiabiao Subburaj, Janardhanraj Farooq, Aamir Zhang, Yingjia Thuwal23955 Saudi Arabia State Key Laboratory of Multiphase Flows in Power Engineering Xi’an Jiaotong University Xi’an710049 China

ISBN: (纸本)9781624107238

This study investigates the combustion characteristics of n-dodecane under pure oxygen conditions, a critical scenario for rocket propulsion systems. Advanced laser absorption diagnostics were employed to measure the oxidation of key species, including n-dodecane, CO, and H2O, across a wide range of temperatures. The experimental data were used to refine chemical kinetic models by optimizing the rate coefficients of key reactions. The optimized models demonstrated improved predictive accuracy for ignition delay times and species concentration profiles, providing deeper insights into the combustion process. These findings enhance the understanding of n-dodecane combustion and contribute to the development of efficient and environmentally sustainable rocket propulsion technologies. Additionally, the study advances modeling methodologies, offering direct implications for the design of more robust and sustainable rocket engines. © 2025, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.

关键词： Rockets

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Experimental Investigation on Sodium Migration and Mineral Transformation in Ash Deposit During Gasification of Zhundong Coal Using a Drop Tube Furnace 9th

Experimental Investigation on Sodium Migration and Mineral T...

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9th International Symposium on Coal Combustion, ISCC 2019

作者： Liu, Chengchang Wang, Chang’an Wang, Chaowei Du, Yongbo Tang, Guantao Li, Guangyu Che, Defu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi’an Jiaotong University Xi’an710049 China

ISBN: (纸本)9789811616563

Zhundong coal has attracted an ever-increasing concern due to its super-huge reserve but high content of alkali metals. Volatilized into the gaseous phase during the gasification process, alkali metals are extremely unfavorable for coal utilization. Gasification technology can promote the large-scale utilization of high-alkali coal. However, few efforts, if any, have been conducted on gasification of Zhundong coal. The present study aimed to elucidate the sodium migration and mineral transformation characteristics in coal ash deposition process under different gasification conditions, while the behavior of sodium migration and mineral transformation were further analyzed using Inductively Coupled Plasma-Atomic Emission Spectrometer (ICP-OES), X-ray diffraction (XRD) and X-ray fluorescence (XRF) techniques. In this paper, the sodium migration characteristics in gasification process under different conditions were investigated by adding three sodium salts (NaCl, Na2CO3 and Na2SO4), kaolin and diatomite into coal, respectively. The effects of ash deposition time on sodium migration and mineral transformation characteristics in ash were also explored. The experimental results showed that the addition of sodium salt could increase the sodium content in the ash to a large extent. Kaolin and diatomite could solidify alkali metals in the gaseous phase during gasification process. As the ash accumulation time increased, the minerals such as chlorine, sulphur, and iron in the gaseous phase were easily bonded to the surface of the ash and reacted to form other crystal phases. The present study can provide guidance for the utilization of Zhundong coal and benefit the development of clean coal technology. © 2022, Tsinghua University Press.

关键词： Coal

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Numerical Simulation on Combustion Characteristics of Co-Firing Biomass Syngas and Coal in a 660 MW Utility Tower Boiler 9th

Numerical Simulation on Combustion Characteristics of Co-Fir...

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9th International Symposium on Coal Combustion, ISCC 2019

作者： Ma, Shihao Zhang, Yan Zhu, Zhengrong Deng, Lei Che, Defu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi’an Jiaotong University Xi’an710049 China

ISBN: (纸本)9789811616563

Utilize the biomass energy and adopt carbon capture and storage technologies could reduce the CO2 emission effectively. Biomass gasification is an effective ways to use the biomass. Co-firing biomass syngas with pulverized coal under oxy-fuel condition in utility boiler can combine the two advantages to reduce the CO2 emission. In this paper, a new proposed combustion mechanism was used to investigate the combustion characteristics of co-firing different types biomass syngas and coal in a 660 MW double reheat tower boiler. The influence of syngas composition and oxy-fuel condition on temperature distributions and flue gas components was analyzed when total input heat of the boiler was steady. The results show that the temperature and the emission of the NO and CO2 decrease in co-firing conditions, the NO mass concentration reduced up to 10.2% in co-firing cases. Biomass syngas with higher H2 and less CO and CH4 composition contributes to lower CO2 emission and higher boiler temperature, which can improve plant performance. The oxy-fuel condition also affects the combustion characteristics to some extent. With the increase of O2 volume fraction, the temperature increases and the O2 consumption decreases. Moreover, the NO mass concentration increases in oxy-fuel combustion when co-firing biomass syngas and coal with a mixing ratio of 0.1. This study offers reference for boiler’s operation and design optimization for biomass syngas co-firing. © 2022, Tsinghua University Press.

关键词： Coal

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Simulation Investigation on NOx Emission Characteristics and Mechanisms During Co-combustion of Fossil Fuels with Different Fuel-Nitrogen Distributions via CHEMKIN 9th

Simulation Investigation on NOx Emission Characteristics and...

引用

9th International Symposium on Coal Combustion, ISCC 2019

作者： Wang, Chaowei Wang, Chang’an Zhao, Lin Yuan, Maobo Wang, Pengqian Du, Yongbo Che, Defu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi’an Jiaotong University Xi’an710049 China

ISBN: (纸本)9789811616563

There are over 100 million tons of semi-coke produced in China every year, and use of the semi-coke in utility coal-fired boilers is a promising approach. In this paper, a blending model of semi-coke and bituminous coal was established via CHEMKIN. The NOx emission was investigated by analyses of sensitivity and production rate, while the effects of stoichiometric ratio of main combustion zone, blending ratio, and combustion temperature on migration of fuel nitrogen were further elucidated. The simulation results showed that the conversion ratio of NOx increased monotonically with an increase in the stoichiometric ratio of main combustion zone. The temperature of plug flow reactor (PFR) I exhibited a significant effect on NOx emission, but other reactors had limited influences. The NOx conversion ratio was enlarged with the increase of semi-coke blending ratio. The influence of blending proportion on NOx emission was significant when the stoichiometric ratio of main combustion zone was small. Compared with high blending ratio, the main reactions with low blending ratio had stronger inhibitory effect on the formation of NO. The present study was of guiding significance for reducing NOx emission in the utility boilers co-firing semi-coke. © 2022, Tsinghua University Press.

关键词： Sensitivity analysis

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