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Across the Board: Yang Li on Visible-Light Photoredox Catalysis

CHEMSUSCHEM 2020年第15期13卷 3937-3939页

作者： Li, Yang Xi An Jiao Tong Univ Frontier Inst Sci & Technol Xian 710054 Shaanxi Peoples R China Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710054 Shaanxi Peoples R China

In this series of articles, the board members ofChemSusChemdiscuss recent research articles that they consider of exceptional quality and importance for sustainability. This entry features Prof. Y. Li, who discusses visible-light photoredox catalysis by acridinium photocatalysts, which show both powerful oxidative and reductive abilities. She also highlights the mechanism for generation of a neutral acridine radical and its application in the reduction of aryl halides.

关键词： acridine radicals acridinium photocatalysts photoredox catalysis visible-light

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Large eddy simulation on the turbulent mixing phenomena in 3x3 bare tight lattice rod bundle using spectral element method

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NUCLEAR engineering AND TECHNOLOGY 2020年第9期52卷 1945-1954页

作者： Ju, Haoran Wang, Mingjun Wang, Yingjie Zhao, Minfu Tian, Wenxi Liu, Tiancai Su, G. H. Qiu, Suizheng Xi An Jiao Tong Univ Sch Nucl Sci & Technol State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China China Inst Atom Energy POB 275-59 Beijing 102413 Peoples R China

Subchannel code is one of the effective simulation tools for thermal-hydraulic analysis in nuclear reactor core. In order to reduce the computational cost and improve the calculation efficiency, empirical correlation of turbulent mixing coefficient is employed to calculate the lateral mixing velocity between adjacent subchannels. However, correlations utilized currently are often fitted from data achieved in central channel of fuel assembly, which would simply neglect the wall effects. In this paper, the CFD approach based on spectral element method is employed to predict turbulent mixing phenomena through gaps in 3 x 3 bare tight lattice rod bundle and investigate the flow pulsation through gaps in different positions. Re = 5000,10000,20500 and P/D = 1.03 and 1.06 have been covered in the simulation cases. With a well verified mesh, lateral velocities at gap center between corner channel and wall channel (W-Co), wall channel and wall channel (W-W), wall channel and center channel (W-C) as well as center channel and center channel (C-C) are collected and compared with each other. The obvious turbulent mixing distributions are presented in the different channels of rod bundle. The peak frequency values at W-Co channel could have about 40%-50% reduction comparing with the C-C channel value and the turbulent mixing coefficient beta could decrease around 25%. corrections for beta should be performed in subchannel code at wall channel and corner channel for a reasonable prediction result. A preliminary analysis on fluctuation at channel gap has also performed. Eddy cascade should be considered carefully in detailed analysis for fluctuating in rod bundle. (c) 2020 Korean Nuclear Society, Published by Elsevier Korea LLC. This is an open access article under the CC BY-NC-ND license (http://***/licenses/by-nc-nd/4.0/).

关键词： Turbulent mixing Rod bundle CFD Spectral element method

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Experimental study on effects of combustion atmosphere and coal char on NO2 reduction under oxy-fuel condition

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JOURNAL OF THE ENERGY INSTITUTE 2019年第4期92卷 1023-1033页

作者： Wang, Chang'an Wang, Pengqian Du, Yongbo Che, Defu Xi An Jiao Tong Univ Sch Energy & Power Engn State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China

Nitrogen oxides (NOx) as the principal air pollutants are mainly from the combustion of fossil fuels. Oxy-fuel combustion is a promising clean coal technology, by which carbon dioxide (CO2) can be captured in large-scale and NOx emission can be reduced significantly. The formation of nitrogen dioxide (NO2) in oxy-fuel combustion exceeds that under traditional air condition. However, the specific studies on NO2 chemistry under oxy-fuel condition are still insufficient and the functional mechanisms of minerals and combustion atmosphere on NO2 reduction have yet to be fully understood. The objective of present study is to experimentally clarify the effects of combustion atmosphere and coal char on NO2 reduction in oxy-fuel combustion using a fixed-bed reactor. Experimental results showed that the decomposition of NO2 had a strong temperature dependence and the NO2 reduction rate showed a positive variation with temperature. The strength of catalytic activity in NO2 reduction to nitric oxide (NO) was Fe2O3 > MgO > CaO > Al2O3 > Na2CO3 > K2CO3 > SiO2. In addition, the increased concentrations of carbon monoxide (CO) and CO2 could promote the reduction of NO2, while the low content of CO2 only established a slight impact on NO2 reduction. However, the increase of oxygen (O-2) concentration displayed an inhibition effect on NO2 reduction to a certain extent. The variation of atmosphere in oxy-fuel combustion generated a substantial influence on the creation and reduction of NO2. The char prepared in lower temperature exhibited a higher promotion effect on the consumption of NO2. Higher contents of fixed carbon and basic oxides had more obvious stimulation effects on NO2 reduction. Fixed carbon had a superior activity in NO2 reduction than ash. The kinetic analysis indicated that high content of CO and the presence of char could reduce the apparent activation energy of NO2 reduction. The present study can be helpful to improve the understanding of NO2 chemistry in oxy-fuel

关键词： Oxy-fuel combustion Nitrogen dioxide Char High content CO Kinetics analysis

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Adsorption behaviors of NH3 and HCl molecules on Fe-based crystal planes: A DFT study

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CHEMICAL engineering SCIENCE 2021年 246卷 116976-116976页

作者： Li, Ruidong Zhang, Yanming Li, Mingtao Wang, Yueshe Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Oil & Gas Res Inst Changqing Oilfield Co Xian 710018 Peoples R China

By adopting the First-principles method based on the density functional theory (DFT), the adsorption properties of NH3 and HCl molecules intermingled in crude oil on the Fe-based crystal planes exposed on the inner surface of a duct in a crude distillation column have been conducted. Specifically, the calculated adsorption energy of NH3 and HCl reveal the most stable adsorption sites on the three planes, and the free energy at different temperatures was corrected. Furthermore, the charge density difference and the Bader charge obviously illustrate the direction of charge transfer and the valence of the atoms after adsorption. The results of projected electron density of states (PDOS), electron localization function (ELF) and the crystal orbital Hamilton population (COHP) reveal the nature of chemical bonds and the influence of specific atomic orbitals. Accordingly, the adsorption type of the two molecules on the Fe-based crystal planes is chemical adsorption. Considering the nature of the chemical bond and the multi-component environment of the distillation column, we infer that the possible causes of corrosion are coordination ions, hydrogen embrittlement and Cl concentration. (C) 2021 Elsevier Ltd. All rights reserved.

关键词： DFT Fe-based crystal planes Adsorption behavior Electronic analysis

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Effects of leaching and additives on the ash fusion characteristics of high-Na/Ca Zhundong coal

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JOURNAL OF THE ENERGY INSTITUTE 2019年第4期92卷 1115-1122页

作者： Niu, Yanqing Gong, Yanhao Zhang, Xiao Liang, Yang Wang, Denghui Hui, Shi'en Xi An Jiao Tong Univ Sch Energy & Power Engn State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China

Considering the intensive application of Zhundong coal and its serious slagging during combustion in pulverized coal fired boilers, the effects of water leaching and different dosages of additives (Na2CO3, CaO, SiO2, and kaolin) into the leached coal on ash fusion characteristics were studied using sintering tester, X-ray Fluorescence, and X Ray Powder Diffraction. After leaching, the contents of Na2O, K2O, CaO, MgO, SO3, and Cl decreased, whereas the contents of SiO2 and Fe2O3 increased. As a result, the slagging and fouling index of Basic/Acid ratio decreased from 1.6 in the raw coal ash to 1.1 in the leached coal ash, and alkali-induced slagging was reduced. However, the decreased ash fusion temperatures (AFTs) of the leached coal worsen the melt-induced slagging. Detailed analysis on the effects of ash compositions on the AFTs by additions of Na2CO3, CaO, SiO2, and kaolin additives into the leached coal showed that Na2CO3 and SiO2 improved the formation of low-melting Na2SO4 and Na2SiO3, and thus decreased the AFTs;However, overdosed Na2CO3 (for instance 9 wt%) improved the formation of relative high-melting Na4Al2Si2O9 and thus increased the AFTs. Overdosed SiO2 as a high-melting contaminant also increased the AFTs. Similar with the function of overdosed SiO2, CaO in the ash of leached coal was excess, and the AFTs increased with increased CaO dosage. Kaolin, which decomposed as high-melting mullite and cristobalite, caused an elevation of the AFTs. Therefore, water leaching decreased the AFTs of Zhundong coal and consequently worsen melt-induced slagging, lime and kaolin additives increased the AFTs effectively, but Na2CO3 and SiO2 additives showed 'V' shaped functions on the AFTs. These general results are useful for the pretreatment of Zhundong coal during combustion and alleviating slagging. (C) 2018 Energy Institute. Published by Elsevier Ltd. All rights reserved.

关键词： Zhundong coal Ash Slagging Leaching Additive

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Microwave-assisted synthesis of bimetallic NiCo-MOF-74 with enhanced open metal site for efficient CO 2 capture

Environmental Functional Materials

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Environmental Functional Materials 2022年第3期1卷 253-266页

作者： Changwei Chen Mohammadreza Kosari Meizan Jing Chi He State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'an 710049 Shaanxi PR China Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore 10 Kent Ridge Crescent 119260 Singapore Department of Chemistry Key Laboratory of Organic Optoelectronics & Molecular Engineering of Ministry of Education Tsinghua University Beijing PR China National Engineering Laboratory for VOCs Pollution Control Material & Technology University of Chinese Academy of Sciences Beijing 101408 PR China

Metal–organic frameworks (MOFs) containing two different inorganic metal nodes (known as bimetallic MOFs) could exhibit enhanced CO 2 adsorption compared to their monometallic counterparts. Herein, a series of bimetallic NiCo-MOF-74 synthesized by microwave-assisted method were investigated for CO 2 adsorption. It was revealed that narrow micropore channel with open metal site (OMS) of the bimetallic NiCo-MOF-74 influence CO 2 binding affinity and CO 2 /N 2 adsorption. The CO 2 uptake of Ni 1 Co 1 -MOF-74 at 0 °C and 1 bar (100 kPa) was 8.30 mmol g −1 which is higher than those of Ni-MOF-74 (3.99 mmol g −1 ), Ni 6 Co 1 -MOF-74 (3.62 mmol g −1 ), Ni 1 Co 6 -MOF-74 (6.40 mmol g −1 ) and Co-MOF-74 (5.03 mmol g −1 ). While this could be related to the high specific surface area of Ni 1 Co 1 -MOF-74, Ni 1 CO 2 -MOF-74 with relatively low specific surface areas still shows good CO 2 adsorption capacity up to 5.70 mmol/g, which is higher than those of adsorbents Ni-MOF-74, Ni 6 Co 1 -MOF-74 and Co-MOF-74, indicating that adsorption performance mainly relies on coordinated metals. Ni 1 Co 1 -MOF-74 showed remarkable recyclability performance, ranking selectivity of CO 2 /N 2 reach up to 34, and suitable isosteric heat (31–23 kJ mol −1 ), manifesting a great probability for industrial CO 2 capture. As revealed, incorporated Ni 2+ /Co 2+ nodes within Ni 1 Co 1 -MOF-74, which are acting as active and open sites for CO 2 capture, led to the synergetic effects comprising of micropores as well as dense dual-metal sites.

关键词： Bimetallic metal–organic frameworks NiCo-MOF-74 Microwave-assisted synthesis Open metal site CO 2 capture

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Simulation of OH- and oxygen transport in the air-cathode catalyst layer of microbial fuel cells

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ELECTROCHEMISTRY COMMUNICATIONS 2023年第1期151卷

作者： Cai, Wenfang Geng, Jiafeng Zhao, Shifeng Zhu, Yucheng Wang, Yunhai Chen, Qingyun Guo, Kun Xi An Jiao Tong Univ Sch Chem Engn & Technol Xian 710049 Peoples R China Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Xi An Jiao Tong Univ Dept Environm Sci & Engn Xian 710049 Peoples R China Changan Univ Sch Water & Environm Dept Chem Engn Xian 710054 Peoples R China

The mass transfer of OH- and oxygen within an air-cathode is critical for the performance of microbial fuel cells (MFCs). Improving the understanding of this complex transportation mechanism could help guide the design of air-cathodes to enhance the power density of MFCs. Herein, a 2D-agglomerate model is developed to study OH- and O2 transfer, and electrochemical performance within an air-cathode MFC. The effects of key variables (binder volume fraction, and Pt/carbon mass ratio) on OH- and oxygen transport behavior have been investi-gated. Simulation results reveal that the OH- and oxygen concentrations within the catalyst layer are closely related to the catalyst layer structure. A lower volume fraction of Nafion (R) binder is beneficial to OH- and oxygen transfer, while the Pt/carbon mass ratio has complex effects on OH- and oxygen transfer and reactions. This work aims to improve our understanding of OH- and oxygen mass transfer and offers an effective approach to con-structing high-performance air-cathode MFCs.

关键词： Air-cathode MFC Catalyst layer Mass transfer OH- transport

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OPTIMIZATION OF EXTRACTION POSITION UNDER LOW LOADS OPERATION OF power PLANT IN power-WATER COGENERATION

OPTIMIZATION OF EXTRACTION POSITION UNDER LOW LOADS OPERATIO...

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ASME power Conference (power)

作者： Chen, Weixiong Fan, Jiang Meng, Yu Zhang, Yousen Yan, Junjie Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Shenhua Guohua Beijing Elect Power Res Inst Co Lt Beijing 100025 Peoples R China

ISBN: (纸本)9780791883747

power-water cogeneration is an effective mode to address fresh water shortage problem, namely low-temperature multi-effect seawater desalination (LT-MED) system coupled with thermal power plant. In the present study, the steam extraction position of thermal vapor compressor (TVC) under different loads was optimized to reduce the cost of water production. And then, the thermodynamic performance of the coupled system is obtained when the extraction position of motive steam varies from No.5 to No.7, whereas the power plant load is in the range of 30% THA -50% THA. The results indicate that the optimal extraction position is not fixed under different low loads of the power plant, it depends on the cost calculation methods. For any method used to calculate the steam cost, the optimal steam extraction position is from No.5 extraction when the power plant load is 40%THA. The optimal steam extraction position is from No.6 extraction when the power plant load is 30%THA. And the optimal steam extraction position is from No.7 extraction when the power plant load is 30%THA.

关键词： Extraction steam position Water production cost

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Experimental Studies of Liquid Immersion Cooling for 18650 Lithium-Ion Battery Under Different Discharging Conditions

SSRN

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SSRN 2022年

作者： Li, Yang Zhou, Zhifu Hu, Leiming Bai, Minli Gao, Linsong Li, Yulong Liu, Xuanyu Li, Yubai Song, Yongchen Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education Dalian University of Technology Dalian116023 China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi’an710049 China Department of Mechanical Engineering Carnegie Mellon University Pittsburgh15213 United States

In this study, the fluorinated liquid immersion cooling as a new cooling scheme has been tested and discussed for cooling the 18650 lithium-ion battery. OpteonTM SF33, with boiling point of 33.4oC, is chosen as the fluid for the immersion cooling. Comparison of the liquid immersion cooling and convective air cooling for a 18650 lithium-ion battery under 2C, 4C and dynamic load conditions are made. It is found that the immersion cooling better cools the battery cell under all these conditions. Under 4C discharging, the maximum cell temperature rise is 14.06°C for the forced air cooling, while is 4.97°C for the liquid immersion cooling. As the cooling fluid’s temperature basically governs the battery cell temperature, the cooling fluid’s temperature should not be too low. This study demonstrates that the lithium-ion battery has non-negligible power losses under cooling liquid temperature of 10oC and 15oC, compared with temperature above 20oC. Lastly, the two-phase boiling heat transfer mechanisms associated with immersion cooling of lithium-ion battery are discussed with bubble dynamics analysis. It is found under higher C rate, more aggressive boiling heat transfer is induced. The battery temperature is controlled to be below 34.5oC even under 7C discharging condition. © 2022, The Authors. All rights reserved.

关键词： Lithium-ion batteries

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CdS nanocrystallites sensitized ZnO nanorods with plasmon enhanced photoelectrochemical performance

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Chinese Chemical Letters 2019年第12期30卷 2363-2367页

作者： Li Cai Yuanchang Du Xiangjiu Guan Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering (MFPE) Xi’an Jiaotong University (XJTU)

A novel architecture of CdS/ZnO nanorods with plasmonic silver(Ag) nanoparticles deposited at the interface of ZnO nanorods and CdS nanocrystallites,was designed as a photoanode for solar hydrogen generation,with photocurrent density achieving 4.7 mA/cm^2 at 1.6 V(***),which is 8 and 1.7 times as high as those of pure ZnO and CdS/ZnO nanorod films,***,with optical absorption onset extended to^660 nm,CdS/Ag/ZnO nanorod film exhibits significantly increased incident photo-tocurrent efficiency(IPCE) in the whole optical absorption region,reaching 23.1% and 9.8% at 400 nm and500 nm,*** PEC enhancement can be attributed to the one-dimensional ZnO nanorod structure maintained for superior charge transfer,and the extended visible-light absorption of CdS ***,the incorporated plasmonic Ag nanoparticles could further promote the interfacial charge carrier transfer process and enhance the optical absorption ability,due to its excellent plasmon resonance effect.

关键词： ZnO nanorods Plasmonic Ag nanoparticles CdS nanocrystallites Photoelectrochemical water splitting Synergistic effect

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