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Chalcogen heteroatoms doped nickel-nitrogen-carbon single-atom catalysts with asymmetric coordination for efficient electrochemical CO_(2) reduction

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Chinese Journal of Catalysis 2024年第9期64卷 54-65页

作者： Jialin Wang Kaini Zhang Ta Thi Thuy Ng Yiqing Wang Yuchuan Shi Daixing Wei Chung-Li Dong Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'an 710049ShaanxiChina Department of Physics Tamkang UniversityNew Taipei City 25137TaiwanChina

The electronic configuration of central metal atoms in single-atom catalysts(SACs)is pivotal in electrochemical CO_(2) reduction reaction(eCO_(2)RR).Herein,chalcogen heteroatoms(e.g.,S,Se,and Te)were incorporated into the symmetric nickel-nitrogen-carbon(Ni-N_(4)-C)configuration to obtain Ni-X-N_(3)-C(X:S,Se,and Te)SACs with asymmetric coordination presented for central Ni *** these obtained Ni-X-N_(3)-C(X:S,Se,and Te)SACs,Ni-Se-N_(3)-C exhibited superior eCO_(2)RR activity,with CO selectivity reaching~98% at-0.70 V versus reversible hydrogen electrode(RHE).The Zn-CO_(2) battery integrated with Ni-Se-N_(3)-C as cathode and Zn foil as anode achieved a peak power density of 1.82 mW cm^(-2) and maintained remarkable rechargeable stability over 20 ***-situ spectral investigations and theoretical calculations demonstrated that the chalcogen heteroatoms doped into the Ni-N_(4)-C configuration would break coordination symmetry and trigger charge redistribution,and then regulate the intermediate behaviors and thermodynamic reaction pathways for eCO_(2)***,for Ni-Se-N_(3)-C,the introduced Se atoms could significantly raise the d-band center of central Ni atoms and thus remarkably lower the energy barrier for the rate-determining step of ^(*)COOH formation,contributing to the promising eCO_(2)RR performance for high selectivity CO production by competing with hydrogen evolution reaction.

关键词： Electrochemical CO_(2) reduction reaction Chalcogen heteroatoms Single-atom catalysts Asymmetric coordination CO production

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A volume of fluid simulation of the steady deformation and the drag of a single droplet in a flowing gas

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Journal of Hydrodynamics 2021年第2期33卷 334-346页

作者： Zhi-bin Wang Zhong-wei Yang Lie-jin Guo Ren-jie Zhao State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation Southwest Petroleum UniversityChendu 610500China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an 710049China

A method is proposed to investigate the steady deformation and the drag of a single droplet in a flowing gas at a high Reynolds *** volume of fluid(VOF)method is used to model the droplet surface *** direct numerical simulation(DNS)method is used to model the gas flow *** order to avoid the effect of the droplet acceleration on the drag and reduce the computation cost,a body force is added to the droplet to make it fixed at a constant *** body force is determined by using the Newton iteration *** simulated droplet aspect ratio and the drag coefficient agree well with the published experimental ***,the sources of the drag are analyzed and the effect of the Reynolds number and the Weber numbers on the droplet deformation and the drag are *** drag mainly comes from the pressure difference between the droplet-leading zone and the trailing zone,and the turbulence wake would increase the drag.

关键词： Droplet deformation steady drag volume of fluid(VOF) turbulent flow drag force

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Research on the THMC Coupling Model for Enhanced Geothermal Systems Based on the Framework of EDFM 29th

Research on the THMC Coupling Model for Enhanced Geothermal ...

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29th International Conference on Computational and Experimental engineering and Sciences, ICCES 2023

作者： Zhang, Weitao Han, Dongxu Jiao, Kaituo Chen, Yujie Yuan, Qing Gong, Liang Yu, Bo Qingdao266580 China Beijing Key Laboratory of Pipeline Critical Technology and Equipment for Deepwater Oil and Gas Development School of Mechanical Engineering Beijing Institute of Petrochemical Technology Beijing102617 China State Key Laboratory of Multiphase Flow in Power Engineering School of Chemical Engineering and Technology Xi’an Jiaotong University Xi’an710049 China

ISBN: (纸本)9783031429866

The Enhanced Geothermal System (EGS) involves a complex thermo-hydro-mechanical-chemical (THMC) coupling process during long-term heat extraction. However, many models used to solve fractured reservoir problems are computationally time-consuming, especially when dealing with reservoir-scale engineering problems. To address this challenge, this paper proposes a novel THMC coupling model that solves the governing equations using a unified FVM framework based on the embedded discrete fracture model (EDFM). The accuracy of the model is confirmed by comparing the THC coupling and displacement (M) results with the Fully Resolved Solution Method (FRSM) from MRST software and COMSOL, respectively. Moreover, the model developed is utilized to simulate and analyze the spatiotemporal behavior of pressure, temperature, concentration, and mechanical deformation in EGS. The results suggest that the model is appropriate for effectively assessing the long-term production performance of EGS. © 2024, The Author(s), under exclusive license to Springer Nature Switzerland AG.

关键词： Finite volume method

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Experimental and modeling investigation of zero net liquid flow in hilly terrain pipeline

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Petroleum Science 2025年第5期22卷 2183-2202页

作者： Huang, Bo Xu, Qiang Chang, Ying-Jie Cao, Ye-Qi Yu, Hai-Yang Li, Yu-Wen Guo, Lie-Jin State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Shaanxi Xi'an710049 China College of Petroleum Engineering Xi'an Shiyou University Shaanxi 710065 China

Hilly terrain pipeline is a common form of pipeline in oil and gas storage and transportation industry. Due to the hilly terrain influence, the liquid at the elbow of the gathering pipeline is easy to flow back and accumulate to form slug flow, so it is necessary to remove the accumulated liquid by gas purging. In this paper, experiment is carried out in hilly terrain pipelines. Three flow patterns of stratified flow, slug flow and stratified entrained flow are observed. The process of gas purging accumulated liquid is divided into four stages, namely liquid accumulation, liquid rising, continuous outflow and tail outflow. At the same time, the flow pattern maps of each stage are drawn. The pressure drop signal is analyzed in time domain and frequency domain, and the contour map of pressure drop distribution is drawn. It is found that the ratio of range to average value can well distinguish the occurrence range of each flow pattern. Based on visualization, the transition process of slug flow to stratified flow and stratified entrained flow is studied, and the transition boundary prediction model is established. An image processing method is proposed to convert the image signal into a similarity curve, and PSD analysis is performed to calculate the slug frequency. The normal distribution is used to fit the slug frequency, and the predicted correlation is in good agreement with the experimental data. © 2025 The Authors

关键词： Optical flows

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Effect of Fuel System on the Heat Releasing Method and flow-Path Design of Rocket-Based Combined Cycle Engine 14

Effect of Fuel System on the Heat Releasing Method and Flow-...

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14th International Conference on Mechanical and Aerospace engineering, ICMAE 2023

作者： Liu, Xiao Wang, Yinhu Yang, Yiyan Shi, Lei Yan, Dekun Xi'An Jiaotong University State Key Laboratory of Multiphase Flow in Power Engineering Xi'an China Beijing Institute of Long March Vehicle Beijing China Northwestern Polytechnical University Science and Technology on Combustion Internal Flow and Thermal-structure Laboratory Xi'an China

ISBN: (纸本)9798350340327

Multi-components rocket-based combined cycle (RBCC) engine is widely applied in most two-stage-To-orbit program due to stable operation performance under variable flight conditions. Present researches numerically compared RBCC's performance under ramjet mode and scramjet mode, respectively, by using two fuel system, hydrogen and kerosene together with a \mathrm{k}-\omega SST turbulence model. Researches showed that the combustor area ratio should be increased to keep stable pressure difference balance between inflow and flame because of higher caloric value using hydrogen. Distributed heat addition method is benifit for overall performance improvement when using hydrogen. Different from using kerosene, head should be delayedly added in combustor downtream under scramjet mode. Moreover, the advanced heat addition amount should be decreased under ramjet mode to ensure effective isolator operation. © 2023 IEEE.

关键词： Hydrogen

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Simulation Study on Heat Exchangers Characteristics of Solar Thermal Steam System Based on Aspen Plus 2

Simulation Study on Heat Exchangers Characteristics of Solar...

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2nd International Conference on Algorithms, High Performance Computing and Artificial Intelligence, AHPCAI 2022

作者： Chen, Pengfei Chen, Kang Peng, Huaiwu Zhang, Yanlong Bawaa, Baercheng Zhao, Qiuyang Institute of Solar Engineering Technology Northwest Engineering Corporation Limited Power China Xi'an710065 China Xi'An Jiaotong University State Key Laboratory of Multiphase Flow in Power Engineering Xi'an China

ISBN: (纸本)9798350334784

In the thermal recovery project of thick oil, there are high standards for steam temperature and flow rate. The solar thermal steam supply system can convert unstable solar energy into stable and efficient carrier heat, which can be used to transfer heat to low-temperature water to produce high-temperature steam and achieve a clean and low-carbon steam supply. The rated pressure of steam and the split ratio of molten salt in the heating system have a great influence on the demand area and heat load of solar panels. In this paper, a simulation is made on the solar thermal steam supply system based on Aspen Plus. The simulation result shows that the increase in pressure will cause a growth in the area of the photothermal concentrator field but will reduce the area used for photovoltaic panels. At the same time, it reduces the heat load of the evaporator and extends its service life. The split ratio affects the molten salt temperature at the outlet of the superheater and the reheater. When the split ratio increases, the heat transfer temperature difference between the two ends of the superheater heat flow decreases, and the heat transfer temperature difference of the reheater grows bigger. Therefore, the molten salt temperature flowing out of the reheater rises. © 2022 IEEE.

关键词： Heat exchangers

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Enhancing the Frequency Control Stability in Large-Scale VPPs with Limited Capacity of Fast-Response Units 19th

Enhancing the Frequency Control Stability in Large-Scale VPP...

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19th Annual Conference of China Electrotechnical Society, ACCES 2024

作者： Liang, Jun Tian, Zeyu Zhang, Penghua Zhang, Mingyue Li, Wei Liu, Huan Chong, Daotong China Nuclear Power Operation Technology Co. Ltd. Hangzhou311215 China State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an710049 China China Nuclear Power Operation Management Co. Ltd. Jiaxing314300 China

ISBN: (纸本)9789819647996

As renewable energy penetration increases, Virtual power Plants (VPPs) must not only manage energy scheduling but also ensure system security, particularly in response to frequency fluctuations. Existing research focuses on optimizing Primary Frequency Control (PFC) and developing specific control strategies for VPP units. In this study, a dynamic simulation model of a VPP was constructed, and two control systems—Energy Management System (EMS) and Capacity Coordinated Frequency Control (CCFC)—were established and optimized for better control effectiveness. The results demonstrate that the EMS designed for rapid energy storage response is better than traditional methods in responding frequency disturbances caused by rapid power demand changes. Under EMS control, the frequency nadir improved by 17.5%, and the time to reach steady-state was reduced by 77.2% during rapid power increases. Similarly, the nadir improved by 17.1%, and the steady-state time was reduced by 69.5% during power decreases. In addition, the coordinated optimization of EMS and CCFC enhances the VPP’s ability to manage large-scale power fluctuations. The safe power step adaptation range is expanded from 5 MW to 25 MW when the BESS’s dispatchable power is limited. This study highlights the potential of integrated control strategies to significantly enhance the frequency regulation and overall stability of VPPs. © Beijing Paike Culture Commu. Co., Ltd. 2025.

关键词： Frequency stability

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Thermal mechanical response analysis of the first wall in laser initial confinement fusion reactors

International Journal of Advanced Nuclear Reactor Design and...

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International Journal of Advanced Nuclear Reactor Design and Technology 2025年第2期7卷 147-155页

作者： Li, Xinze Zhang, Bingqian Tong, Chengcheng Chen, Ronghua Zhang, Dalin Tian, Wenxi Qiu, Suizheng State Key Laboratory of Multiphase Flow in Power Engineering Shaanxi Key Laboratory of Advanced Nuclear Energy and Technology School of Nuclear Science and Technology Xi'an Jiaotong University Xi'an710049 China

This paper investigates the thermo-mechanical response characteristics of the first wall of a laser initial confinement fusion reactor under periodic transient heat flux loads. The first wall of the reactor experiences extremely high instantaneous heat loads during the target compression process, leading to temperature and thermal stress oscillations, which can cause material fatigue damage. Finite element analysis is employed to model the first wall under various chamber sizes and target energies, and the thermal-mechanical response characteristics of W, W/Cu functional gradient materials, and blanket materials are studied under thermal shock and cyclic loading conditions. The results indicate that W/Cu functional gradient materials can effectively alleviate thermal stresses on the first wall, especially in addressing the stress concentration at the interface. Fatigue life of the first wall is assessed using the Basquin model, and it is found that increasing the chamber size and increasing the target frequency can significantly reduce temperature oscillations and thermal stresses, thus extending the service life of the first wall. This study provides valuable design references for the optimization and design of the first wall in laser initial confinement fusion reactor. © 2025 Xi'an Jiaotong University

关键词： Thermal fatigue

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Experimental study on the thermochemical reduction of supercritical CO2 by guaiacol

Experimental study on the thermochemical reduction of superc...

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International Multidisciplinary Conference on Computer and Energy Science (SpliTech)

作者： Yimeng Wei Jiadela Kuanibieke Hui Jin State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University China

The continuous growth of CO 2 emissions is one of the global problems facing humanity, and how to convert and exploit the stock of CO 2 has become an urgent issue. Biomass as an activity of CO 2 thermal reduction medium has become the focus of human attention in general. Supercritical CO 2 (SCCO 2 ) has the advantages of near-liquid density and high solubility, which can further strengthen the reduction process (T≥31.26℃, P≥72.9 atm). This paper described a SCCO 2 reduction method of guaiacol on an intermittent Kettle Reactor to investigate the effects of reaction temperature (400-700℃), residence time (5-20 min) and reactant concentration (4 wt%-16wt%) on the three-phase products. The experimental results indicated that the carbon gasification efficiency (CE) and hydrogen gasification efficiency (HE) were 43.7% and 56.7%, respectively, when the carbon dioxide consumption reached 16.15 mol/kg. As the temperature increased, the consumption of carbon dioxide increased and the concentration of reactants increased with opposite results.

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Regulation on polymerization degree and surface feature in graphitic carbon nitride towards efficient photocatalytic H2 evolution under visible-light irradiation

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Journal of Materials Science & Technology 2022年第3期98卷 160-168页

作者： Cheng Cheng Chung-Li Dong Jinwen Shi Liuhao Mao Yu-Cheng Huang Xing Kang Shichao Zong Shaohua Shen International Research Center for Renewable Energy(IRCRE) State Key Laboratory of Multiphase Flow in Power Engineering(MFPE)Xi'an Jiaotong University(XJTU)28 West Xianning RoadXi’an 710049China Department of Physics Tamkang University151 Yingzhuan RoadTamsui 25137TaiwanChina

A kind of graphitic carbon nitride(TSC-550) with high polymerization degree and improved surface property was prepared by a new precursor of thiosemicarbazide. The sulfur motif and high nitrogen content in thiosemicarbazide promoted the polymerization of thiosemicarbazide to form graphitic carbon nitride framework with high degree of polymerization, which significantly influenced the electronic structure and surface chemical properties. TSC-550 possessed a narrow bandgap of 2.19 eV that facilitated the utilization of visible light, and possessed a less positive charge, acidic surface that resulted in enhanced hydrogen adsorption ability in water solution, which promoted the H;evolution kinetics. In addition, the extended π-conjugated electronic system promoted the separation and migration of photogenerated charge carries in plane of TSC-550 framework, as well as the increasing interlayer C–N interactions in TSC-550 created conductive paths across the layers to tunnel interlayers for rapid electron transportation. As a result, TSC-550 nanosheets showed excellent photocatalytic H;production activity,the AQY achieved 36.4% at 425 nm.

关键词： Degree of polymerization Graphitic carbon nitride Photocatalysis Solar energy Hydrogen

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