检索结果-内蒙古大学图书馆

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

引用

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

来源：评论

学校读者我要写书评

暂无评论

Uncertainty and sensitivity analysis of in-vessel phenomena under severe accident mitigation strategy based on ISAA-SAUP program

引用

Nuclear Science and Techniques 2024年第1期35卷 108-123页

作者： Hao Yang Ji-Shen Li Zhi-Ran Zhang Bin Zhang Jian-Qiang Shan School of Nuclear Science and Technology Xi’an Jiaotong UniversityXi’an 710049China State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China

The phenomenology involved in severe accidents in nuclear reactors is highly ***,integrated analysis programs used for severe accident analysis heavily rely on custom empirical parameters,which introduce considerable ***,in recent years,the field of severe accidents has shifted its focus toward applying uncertainty analysis methods to quantify uncertainty in safety assessment programs,known as“best estimate plus uncertainty(BEPU).”This approach aids in enhancing our comprehension of these programs and their further development and *** study concentrates on a third-generation pressurized water reactor equipped with advanced active and passive mitigation *** an Integrated Severe Accident Analysis Program(ISAA),numerical modeling and uncertainty analysis were conducted on severe accidents resulting from large break loss of coolant *** uncertainty parameters of the ISAA program were meticulously *** Wilks'formula,the developed uncertainty program code,SAUP,was employed to carry out Latin hypercube sampling,while ISAA was employed to execute batch *** analysis was then conducted on two figures of merit,namely hydrogen generation and the release of fission products within the pressure *** calculations revealed that hydrogen production and the fraction of fission product released exhibited a normal distribution,ranging from 182.784 to 330.664 kg and from 15.6 to 84.3%,*** ratio of hydrogen production to reactor thermal power fell within the range of 0.0578–0.105.A sensitivity analysis was performed for uncertain input parameters,revealing significant correlations between the failure temperature of the cladding oxide layer,maximum melt flow rate,size of the particulate debris,and porosity of the debris with both hydrogen generation and the release of fission products.

关键词： Gen-III PWR Severe accident mitigation Wilks’formula Hydrogen Fission products Uncertainty and sensitivity analysis

来源：评论

学校读者我要写书评

暂无评论

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

引用

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

来源：评论

学校读者我要写书评

暂无评论

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

引用

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

来源：评论

学校读者我要写书评

暂无评论

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

引用

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

来源：评论

学校读者我要写书评

暂无评论

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

引用

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)

来源：评论

学校读者我要写书评

暂无评论

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

引用

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

来源：评论

学校读者我要写书评

暂无评论

Polarized imaging dynamic light scattering for simultaneous measurement of nanoparticle size and morphology

引用

Particuology 2024年第2期85卷 213-223页

作者： Bingyao Wang Tianyi Cai Xiaoshu Cai Wu Zhou Zeqi Liu Schoolof Energy and Power Engineering University of Shanghai for Science and TechnologyShanghai200093China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering Shanghai200093China Jiaxing MeaParTech Instrument Technology Co. LtdZhejiang314000China

The performance of nanoparticles is often affected by particle size and ***,electron microscopy or atomic force microscopy is typically utilized to determine the size and morphology of ***,there are issues such as difficult sample preparation,long processing times,and challenges in quantitative ***,it is of great significance to develop a fast,accu-rate,and statistical method to measure the size and morphology of *** this study,a new method,called polarized imaging dynamic light scattering(PIDLS),is *** nanoparticles are irradiated with a vertical linearly polarized laser beam,and a polarization camera collected the dynamic light scattering images of particles at four different polarization directions(0°,45°,90°,and 135°)at a scattering angle of 90°.The average particle size and distribution are obtained using the imaging dy-namic light scattering method at 0°polarization direction,and the morphology of the particles is ob-tained based on the depolarization patterns of the scattered *** optical sphericityΦis defined based on the degree of linear polarization(DoLP).It is also implemented for the quantitative evaluation of the sphericity of the nanoparticles,including spherical,octahedral,nanoplate,nanorod,and linear *** with the Poincarésphere parameterψ,the morphology of the nanoparticles can be roughly *** addition,PIDLS enables the measurement of particle size and morphology distributions simultaneously for evaluating the uniformity of *** effectiveness of PIDLS is verified by the measurement of five kinds of industrial titanium dioxide as well.

关键词： Imaging dynamic light scattering Polarized light scattering Non-spherical nanoparticles Morphology Online measurement

来源：评论

学校读者我要写书评

暂无评论

Formic acid dehydrogenation reaction on high-performance Pd_(x)Au_(1−x) alloy nanoparticles prepared by the eco-friendly slow synthesis methodology

引用

Frontiers in Energy 2023年第6期17卷 751-762页

作者： Yibo GAO Erjiang HU Bo HUANG Zuohua HUANG State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China Institute of Chemical Engineering and Technology Xi’an Jiaotong UniversityXi’an 712000China

Dehydrogenation of formic acid (FA) is considered to be an effective solution for efficient storage and transport of hydrogen. For decades, highly effective catalysts for this purpose have been widely investigated, but numerous challenges remain. Herein, the Pd_(x)Au_(1−x) (x = 0, 0.2, 0.4, 0.5, 0.6, 0.8, 1) alloys over the whole composition range were successfully prepared and used to catalyze FA hydrogen production efficiently near room temperature. Small PdAu nanoparticles (5–10 nm) were well-dispersed and supported on the activated carbon to form PdAu solid solution alloys via the eco-friendly slow synthesis methodology. The physicochemical properties of the PdAu alloys were comprehensively studied by utilizing various measurement methods, such as X-ray diffraction (XRD), N2 adsorption–desorption, high angle annular dark field-scanning transmission electron microscope (HAADF-STEM), X-ray photoelectrons spectroscopy (XPS). Notably, owing to the strong metal-support interaction (SMSI) and electron transfer between active metal Au and Pd, the Pd0.5Au0.5 obtained exhibits a turnover frequency (TOF) value of up to 1648 h−1 (313 K, nPd+Au/nFA = 0.01, nHCOOH/nHCOONa = 1:3) with a high activity, selectivity, and reusability in the FA dehydrogenation.

关键词： FA dehydrogenation face-centred cubic structures PdAu solid solution alloy nanoparticles slow synthesis methodology SMSI effect

来源：评论

学校读者我要写书评

暂无评论

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...

引用

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

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：