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Synergistic effect of oxygen species and vacancy for enhanced electrochemical CO_(2) conversion to formate on indium oxide

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eScience 2024年第3期4卷 134-141页

作者： Tengfei Ma Zihao Jiao Haoran Qiu Feng Wang Ya Liu Liejin Guo International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'an 710049China

Indium-based oxides are promising electrocatalysts for producing formate via CO_(2) reduction reaction,in which*OCHO is considered the key ***,we identified that the*COOH pathway could be preferential to produce formate on In_(2)O_(3)of In/In_(2)O_(3) heterojunction due to the synergistic effect of oxygen species and ***,*CO_(2) and *COOH were observed on In_(2)O_(3) and related to formate production by in situ Raman *** theoretical calculations further demonstrated that the energy barrier of the*COOH formation on In_(2)O_(3) was decreased in the presence of oxygen vacancy,similar to or lower than that of the*OCHO formation on the In *** a result,a formate selectivity of over 90%was obtained on prepared In/In_(2)O_(3) heterojunction with 343±7mAcm^(-2) partial current ***,when using a Si-based photovoltaic as an energy supplier,10.11%solar-to-fuel energy efficiency was achieved.

关键词： Electrocatalytic CO_(2)reduction Formate In_(2)O_(3) Oxygen species Oxygen vacancy

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An active learning workflow for predicting hydrogen atom adsorption energies on binary oxides based on local electronic transfer features

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Green Energy & Environment 2024年第10期9卷 1489-1496页

作者： Wenhao Jing Zihao Jiao Mengmeng Song Ya Liu Liejin Guo International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityShaanxi710049Xi'anChina Department of Energy and Power Engineering Shandong University of TechnologyZibo255000ShandongChina

Machine learning combined with density functional theory(DFT)enables rapid exploration of catalyst descriptors space such as adsorption energy,facilitating rapid and effective catalyst ***,there is still a lack of models for predicting adsorption energies on oxides,due to the complexity of elemental species and the ambiguous coordination *** work proposes an active learning workflow(LeNN)founded on local electronic transfer features(e)and the principle of coordinate rotation *** accurately characterizing the electron transfer to adsorption site atoms and their surrounding geometric structures,LeNN mitigates abrupt feature changes due to different element types and clarifies coordination *** a result,it enables the prediction of^(*)H adsorption energy on binary oxide surfaces with a mean absolute error(MAE)below 0.18 ***,we incorporate local coverage(θ_(l))and leverage neutral network ensemble to establish an active learning workflow,attaining a prediction MAE below 0.2 eV for 5419 multi-^(*)H adsorption *** findings validate the universality and capability of the proposed features in predicting^(*)H adsorption energy on binary oxide surfaces.

关键词： Machine learning Adsorption energy Binary oxide Electron transfer Active learning

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Numerical simulation of local and global mixing/segregation characteristics in a gas–solid fluidized bed

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Chinese Journal of Chemical engineering 2022年第4期35卷 72-86页

作者： Zhen Wan Youjun Lu State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China

Researches on solids mixing and segregation are of great significance for the operation and design of fluidized bed *** this paper,the local and global mixing and segregation characteristics of binary mixtures were investigated in a gas–solid fluidized bed by computational fluid dynamics-discrete element method(CFD-DEM)coupled approach.A methodology based on solids mixing entropy was developed to quantitatively calculate the mixing degree and time of the *** mixing curves of global mixing entropy were acquired,and the distribution maps of local mixing entropy and mixing time were also *** comparing different operating conditions,the effects of superficial gas velocity,particle density ratio and size ratio on mixing/segregation behavior were *** showed that for the partial mixing state,the fluidized bed can be divided into three parts along the bed height:complete segregation area,transition area and stable mixing *** areas showed different mixing/segregation *** gas velocity promoted the local and global mixing of binary *** increase in particle density ratio and size ratio enlarged the complete segregation area,reduced the mixing degree and increased the mixing time in the stable mixing area.

关键词： Discrete element method Solids mixing Binary mixtures Fluidized bed

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Development of a fan-stirred constant volume combustion chamber and turbulence measurement with PIV

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Frontiers in Energy 2022年第6期16卷 973-987页

作者： Haoran ZHAO Jinhua WANG Xiao CAI Zhijian BIAN Hongchao DAI Zuohua HUANG State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China

A fan-stirred combustion chamber is developed for spherically expanding flames,with P and T up to 10 bar and 473 K,*** characteristics are estimated using particle image velocimetry(PIV)at different initial pressures(P=0.5-5 bar),fan frequencies(ω=0-2000 r/min),and impeller diameters(D=100 and 114 mm).The flame propagation of methanol/air is investigated at different turbulence intensities(u′=0-1.77 m/s)and equivalence ratios(f=0.7-1.5).The results show that u′is independent of P and proportional toω,which can be up to 3.5 m/s at 2000 r/min.L_(T)is independent of P and performs a power regression withω*** turbulent field is homogeneous and isotropic in the central region of the chamber while the inertial subrange of spatial energy spectrum is more collapsed to-5/3 law at a high Re_(T).Compared to laminar expanding flames,the morphology of turbulent expanding flames is wrinkled and the wrinkles will be finer with the growth of turbulence intensity,consistent with the decline of the Taylor scale and the Kolmogorov *** determined S_(L)in the present study is in good agreement with that of previous *** S_(L)and S_(T)of methanol/air have a non-monotonic trend with f while peak S_(T)is shifted to the richer side compared to S_(L).This indicates that the newly built turbulent combustion chamber is reliable for further experimental study.

关键词： fan-stirred combustion chamber turbulence characteristics particle image velocimetry(PIV) methanol turbulent expanding flames

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Optimization of cold-end system of thermal power plants based on entropy generation minimization

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Frontiers in Energy 2022年第6期16卷 956-972页

作者： Yue FU Yongliang ZHAO Ming LIU Jinshi WANG Junjie YAN State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China

Cold-end systems are heat sinks of thermal power cycles,which have an essential effect on the overall performance of thermal power *** enhance the efficiency of thermal power plants,multi-pressure condensers have been applied in some large-capacity thermal power ***,little attention has been paid to the optimization of the cold-end system with multi-pressure condensers which have multiple parameters to be ***,the design optimization methods of coldend systems with single-and multi-pressure condensers are developed based on the entropy generation rate,and the genetic algorithm(GA)is used to optimize multiple *** parameters,including heat transfer area of multi-pressure condensers,steam distribution in condensers,and cooling water mass flow rate,are optimized while considering detailed entropy generation rate of the cold-end *** results show that the entropy generation rate of the multi-pressure cold-end system is less than that of the single-pressure cold-end system when the total condenser area is ***,the economic performance can be improved with the adoption of the multi-pressure cold-end *** compared with the single-pressure cold-end system,the excess revenues gained by using dual-and quadruplepressure cold-end systems are 575 and 580 k$/a,respectively.

关键词： cold-end system entropy generation minimization optimization economic analysis genetic algorithm(GA)

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Reconstruction of particle distribution for tomographic particle image velocimetry based on unsupervised learning method

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Particuology 2024年第10期93卷 349-363页

作者： Duanyu Zhang Haoqin Huang Wu Zhou Mingjun Feng Dapeng Zhang Limin Gao School of Energy and Power Engineering University of Shanghai for Science and TechnologyShanghai200093China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer for Power Engineering University of Shanghai for Science and TechnologyShanghai200093China National Key Laboratory of Aerodynamic Design and Research Northwestern Polytechnical UniversityXi'an710072China

The development of deep learning has inspired some new methods to solve the 3D reconstruction problem for Tomographic Particle Image Velocimetry (Tomo-PIV). However, the supervised learning method requires a large number of data with ground truth as training information, which is very difficult to gather from experiments. Although synthetic datasets can be used as alternatives, they are still not exactly the same with the real-world experimental data. In this paper, an Unsupervised Reconstruction Technique based on U-net (UnRTU) is proposed to reconstruct volume particle distribution explicitly. Instead of using ground truth data, a projection function is used as an unsupervised loss function for network training to reconstruct particle distribution. The UnRTU was compared with some traditional algebraic reconstruction algorithms and supervised learning method using synthetic data under different particle density and noise level. The results indicate that UnRTU outperforms these traditional approaches in both reconstruction quality and noise robustness, and is comparable to the supervised learning methods AI-PR. For experimental tests, particles dispersed in cured epoxy resin are moved by an electric rail with a certain speed to obtain the ground truth data of particle velocity. Compared with other algorithms, the reconstructed particle distribution by UnRTU has the best reconstruction fidelity. And the accuracy of the 3D velocity field estimated by UnRTU is 12.9% higher than that from the traditional MLOS-MART algorithm. It demonstrates significant potential and advantages for UnRTU in 3D reconstruction of particle distribution. Finally, UnRTU was successfully applied to the high-speed planar cascade airflow field, demonstrating its applicability for measuring complex fluid flow fields at higher particle density.

关键词： Tomographic particle image velocimetry 3D reconstruction Unsupervised learning Convolutional neural network

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Lattice-mismatch-induced formation of defect-rich Pd-Cu alloy nanocages for enhanced formic acid oxidation activity

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Science China Chemistry 2025年第2期68卷 481-491页

作者： Zhaojun Liu Zhengyan Wang Zhaoyu Wang Hao Yuan Yuke Bai Xiaoxiao Wang Zerui Mu Chunxia Wu Kai Liu Zhun Hu Chuanbo Gao Sate Key Laboratory of Multiphase Flow in Power Engineering Frontier Institute of Science and TechnologyXi’an Jiaotong UniversityXi’an 710049China Institute of Industrial Catalysis School of Chemical Engineering and TechnologyXi’an Jiaotong UniversityXi’an 710049China

Crystallographic defects in noble metal nanocrystals are recognized as highly active catalytic sites,significantly enhancing activities in many important *** their importance,synthesizing noble metal nanocrystals with a high density of defects poses a considerable synthetic ***,we present a novel lattice mismatch-induced formation mechanism to create high-density defects in noble metal *** approach takes advantage of lattice mismatch to enable nonepitaxial nucleation and growth of a noble metal on a foreign metal substrate,forming abundant noble metal crystallites with random lattice orientations not dictated by the substrate *** these crystallites grow extensively,they merge,forming numerous grain boundaries and yielding defect-rich noble metal ***-rich alloy nanocrystals can also be synthesized through a subsequent vacancy-diffusion alloying *** take defective PdCu alloy nanocages as an example and demonstrate the effectiveness of crystallographic defects in enhancing catalytic performance of noble metal *** nanocages exhibit superior activity in the electrocatalytic formic acid oxidation reaction,which is 1.6 times greater than their defect-free *** strategy offers a new avenue for creating defect-rich noble metal nanocrystals as highly efficient catalysts for a wide array of catalytic applications.

关键词： noble metal nanocrystals defects non-epitaxial growth electrocatalysis formic acid oxidation reaction

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Fluidization of particles in SCW fluidized bed:Voidage distribution of emulsion phase

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Particuology 2022年第4期20卷 60-75页

作者： Hao Wang Youjun Lu State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an 710049ShaanxiChina

Supercritical water(SCW)fluidized bed reactors convert biomass to fuels without pollutants *** this work,experimental studies were carried out to investigate voidage distribution in an SCW fu-idized bed by capacitance *** sands with different particle sizes were fluidized by SCW under system pressure of 20-27 MPa and temperature of 410-570℃.The effect of operation conditions on voidage distributions of the emulsion phase(*** voidage and probability density)is discussed.A predicting correlation between voidage and superficial velocity in emulsion phase is *** relative error of the correlation is within+25%.These research results provide useful guidance for the optimization of supercritical water gasification technology.

关键词： Supercritical water fluidized bed Capacitance probe measurement system Voidage distribution

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THERMAL-HYDRAULIC ANALYSIS OF THE COOLING WALL IN ULTRA SUPERCRITICAL COAL-FIRED GENERATION PLANTS DURING DEEP PEAKING

THERMAL-HYDRAULIC ANALYSIS OF THE COOLING WALL IN ULTRA SUPE...

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ASME 2024 power Conference, power 2024

作者： Wang, Dengliang Zhao, Yongliang Chen, Weixiong Wang, Chaoyang Yan, Junjie State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an China

ISBN: (纸本)9780791888186

Due to increasingly severe environmental and climate concerns currently, renewable energy is highly penetrated around the world. However, given the intermittency and instability of renewable energy, coal-fired generation plants urgently need to undertake deep peak shaving tasks, resulting in the frequent load cycling transient processes of units. It will have a significant effect on the safe operation of the boiler components, especially for the hydrodynamic instability of cooling wall within the boiler. This paper takes a 1100 MW ultra-supercritical primary reheat coal-fired generation plants as the research object. In accordance with the heating load distribution characteristics of cooling wall, a hydrodynamic characteristic calculation model of cooling wall within the boiler is constructed based on the mass conservation, momentum conservation and energy conservation equations, which introduces numerous empirical correlations available for heat transfer and hydraulic resistance calculation at the same time. The working fluid temperature in the direction of cooling wall height at 100% THA, 75% THA, 50% THA, 40% THA and 30% THA, as well as the metal temperature of the inner, outer and fin tube walls are analyzed. The changes in metal wall temperature of cooling wall under different load cycling rates are obtained during the low load operating range of 50% THA to 30% THA. Ultimate load cycling rates of the coal-fired generation plants without causing the overtemperature issue of cooling wall is obtained. Finally, when the revised fuel supply control strategy is adopted, it is able to significantly reduce the maximum metal wall temperature during the rapid load cycling process. The maximum load cycling rate is increased from 2.5% Pe/min to 3.0% Pe/min for the loading up process. Copyright © 2024 by ASME.

关键词： Coal

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THE FLEXIBILITY ENHANCEMENT OF SUBCRITICAL COAL-FIRED power PLANTS: CONTROL STRATEGY OPTIMIZATION FOR LIVE AND REHEAT STEAM TEMPERATURE

THE FLEXIBILITY ENHANCEMENT OF SUBCRITICAL COAL-FIRED POWER ...

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ASME 2024 power Conference, power 2024

作者： Chen, Chen Liu, Ming Wang, Chaoyang Zhao, Yongliang Yan, Hui Yan, Junjie State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an China

ISBN: (纸本)9780791888186

With the increasing penetration of renewable power, flexible power sources are urgently required by the power grid to balance the supply and demand sides. Therefore, the operational flexibility of subcritical coal-fired power plants should be further enhanced. In this study, dynamic models of a reference 330MW subcritical coal-fired power plant were developed and validated. The load ramp performances of the reference plant were simulated. The maximum ramp rates during loading down processes were 2%Pe/min and 1.5%Pe/min in 75% -50% and 50% -40% load cycling ranges, respectively, and the maximum ramp rate during loading up processes is 1.5%Pe/min. That the live steam and reheat steam temperatures exceeding their thresholds limits for the load ramp rates. The subcritical power unit has a steam drum, serving as a substance and energy storage device, and allows partial decoupling of feedwater flow and coal flow. Consequently, an enhanced steam temperature control strategy, facilitated by adjusting the feedwater flow rate during the load ramp processes, was proposed. The feedwater flow rate is appropriately regulated during load cycling dynamic processes to assist the control of live steam and reheat steam temperatures. The models to obtain the live steam and reheat steam temperature variations influenced by the feedwater flow rates are developed, and implemented in the control strategy. Then, simulations on the reference power plant with the enhanced control strategy were conducted, and the temperature overshoots have been effectively suppressed. As a result, the load ramp rate is increased. For example, in the load cycling range of 75%-40%, the overall unit ramp rate is increased by 1%Pe/min, achieving an enhancement in the operational flexibility of subcritical units. Copyright © 2024 by ASME.

关键词： Coal

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