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Impact of Ni particle size on CO_(2)activation and CO formation during reforming process:A density functional theory study

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Frontiers in energy 2024年第4期18卷 525-534页

作者： Juntian NIU Shengzhuo CHEN Xianrong ZHENG Haiyu LIU Yan JIN Jingyu RAN College of Electrical and Power Engineering Taiyuan University of TechnologyTaiyuan 030024China Key Laboratory of Low-grade Energy Utilization Technologies and Systems(Ministry of Education) Chongqing UniversityChongqing 400044China

In recent years,the dry reforming of methane(DRM)reaction has gained widespread attention due to its effective utilization of two major greenhouse *** Ni-based catalysts for DRM exhibit a strong dependence on particle size,however,the reaction mechanisms involved remain *** this work,the effect of metal particle size on CO_(2)activation and CO formation was explored in the DRM reaction using the density functional ***/MgO(x=13,25,37)was constructed to investigate the CO_(2)activation and the formation of CO during the DRM *** is found that CO_(2)is more inclined to undergo chemisorption on Nix/MgO before *** the variation in particle size,the main activation pathway of CO_(2)on the catalyst *** the smallest Ni13/MgO,CO_(2)tends to directly dissociate,while on the larger Ni25/MgO and Ni37/MgO,the hydrogenation dissociation of CO_(2)is more kinetically *** to Ni13/MgO and Ni37/MgO,the oxidation of surface C atoms and the oxidation of CH occur more readily on Ni25/*** indicates that C atoms are less likely to form on Ni25 particle and are more easily to be *** some extent,the results suggest that Ni25/MgO exhibits superior resistance to carbon formation.

关键词： particle size Ni/MgO catalyst CO_(2)activation CO formation

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Adsorption performance of refrigerants in metal-organic frameworks using machine learning prediction 3

Adsorption performance of refrigerants in metal-organic fram...

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3rd International Conference on Electronic Information Engineering, Big Data, and Computer technology, EIBDCT 2024

作者： Dong, Shaoli Key Laboratory of Low Grade Energy Utilization Technology and System Ministry of Education School of Energy and Power Engineering Chongqing University Chongqing400044 China

ISBN: (纸本)9781510680449

Metal-organic frameworks (MOFs) have received significant attention in the domains of adsorption refrigeration and energy storage, owing to their exceptional characteristics. In this study, machine-learning techniques were employed to anticipate the adsorption potential of refrigerants within MOFs. And an approach to characterize the MOF-refrigerant working pairs was proposed. By applying Random Forest (RF), Support Vector Regression (SVR), and Multilayer Perceptron (MLP) algorithms, the adsorption capacity of refrigerants in MOFs at different temperatures and pressures were predicted with correlation coefficients of 0.9489, 0.9134, and 0.9017 respectively, along with absolute average deviations of 18.69%, 29.39%, and 21.86%. Furthermore, the predicted adsorption curves by the neural network model showed good fitting to experimental curves with deviations within 15% at saturation points and inflection points. © COPYRIGHT SPIE. Downloading of the abstract is permitted for personal use only.

关键词： Adsorption

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Application of XGBoost Model for Predicting Isobaric Heat Capacity of Liquid HC, HFC, and HFO Refrigerants 5

Application of XGBoost Model for Predicting Isobaric Heat Ca...

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5th International Conference on Intelligent Computing and Human-Computer Interaction, ICHCI 2024

作者： Dong, Shaoli School of Energy and Power Engineering Chongqing University Key Laboratory of Low-Grade Energy Utilization Technology and System Ministry of Education Chongqing400044 China

ISBN: (纸本)9798350368284

This article presents a machine learning model for accurately calculating the isobaric heat capacity of pure HC, HFC, and HFO refrigerants in the liquid phase. Initially, a comprehensive evaluation was conducted on 1687 experimental data points encompassing various refrigerants. Subsequently, distinct linear algorithms, nonlinear algorithms, and ensemble algorithms were individually trained and tested. After careful comparison and analysis, XGBoost emerged as the most effective algorithm for this task. The utilization of XGBoost in predicting and computing the isobaric heat capacity of refrigerants demonstrated excellent agreement with experimental values. The resulting R 2 value was found to be 0.9734 while RMSE stood at 0.1267 {kJ}/({K}). © 2024 IEEE.

关键词： Adversarial machine learning

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Performance and Sizes of sCO_(2)Multistage Axial Compressors at Various Power Capacities

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Journal of Thermal Science 2025年第2期34卷 352-373页

作者： WANG Tianze XU Jinliang ZHENG Haonan QI Jianhui Beijing Key Laboratory of Multiphase Flow and Heat Transfer for Low Grade Energy Utilization North China Electric Power UniversityBeijing100026China Key Laboratory of Power Station Energy Transfer Conversion and System(North China Electric Power University) Ministry of EducationBeijing102206China School of Energy and Power Engineering Shandong UniversityJi’nan250061China

The supercritical carbon dioxide(sCO_(2))cycle can be powered by traditional as well as clean *** help users obtain more accurate results than the literatures with pre-set compressor efficiency,we proposed a complete model to establish a link between the performance,sizes of compressors and parameters such as power W_(C),inlet temperature T_(in),inlet pressure P_(in)and pressure ratioε.Characteristic sizes of compressors l_(c),profile loss Y_(p)and clearance loss Ycl are all proportional to powers of W_(C)with powers of 0.5,-0.075 and-0.5 to 0 respectively;the scaling laws are constant in the range of capacities from 20 MW to 200 *** compressor isentropic efficiencyη_(tt)grows as the W_(C)increases,and the curves become *** efficiency improves over the full power range when the speed is changed from standard speed to the optimal speed;theη_(tt)curves turn soft as the n *** the P_(in)and T_(in)approach the critical point,theη_(tt)*** efficiency follows a parabolic curve as theεincreases,this parabolic distribution results from the tradeoff between the change in losses and the pressure distribution of ***η_(tt)versus P_(in),T_(in)andεrelations are similar at various capacities because of insignificant changes in the distribution of *** efficiency maps facilitate the estimation of system performance,while scaling law for irreversible losses and characteristic lengths,along with constant criterion analyses,aid in comprehending the characteristics of compressors across various capacities.

关键词： sCO_(2)cycle compressor efficiency irreversible losses scaling laws

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Risk Evaluation of Ammonia Leakage based on Modified Probability Calculation Formulas

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Journal of Thermal Science 2023年第2期32卷 854-865页

作者： GE Yingying YANG Zhao HE Hongxia WU Xiaokun CHEN Yubo LV Zijian ZHANG Yong Key Laboratory of Efficient Utilization of Low and Medium Grade Energy MOESchool of Mechanical EngineeringTianjin UniversityTianjin 300072China State Key Laboratory of Air-Conditioning Equipment and System Energy Conservation GREE Electric AppliancesInc.of ZhuhaiGuangdong 519070China

Due to its flammable,explosive,and corrosive characteristics,fire,and explosion accidents caused by ammonia leakage occur from time to *** this work,the concentration distribution of the model was calculated according to the existing formula of probabilistic risk *** the revised formulas,the leakage of the ammonia room was quantitatively analyzed,and different state parameters were analyzed to find out the dangerous leakage points of the ammonia refrigeration *** results of the calculation are that the existence of obstacles in the space will increase the probability of leakage *** the greater the leakage time to the lower flammability limit accounts for the total leakage time,the greater the risk *** leakage in ammonia systems mainly occurs in storage tanks and *** data show that the dynamic mass flow of ammonia leakage decreases with time,and the leakage diameter increases with the increase of leakage *** the same time,the leakage mass increases gradually with the leakage aperture near circular.

关键词： flammable refrigerants leakage risk evaluation of fire probability calculation

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Interaction pathways of implant metal localized corrosion and macrophage inflammatory reactions

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Bioactive Materials 2024年第1期31卷 355-367页

作者： Meng Li Jing Wu Wenbo Geng Pengfei Gao Yulu Yang Xuan Li Kun Xu Qiang Liao Kaiyong Cai Key Laboratory of Biorheological Science and Technology Ministry of EducationCollege of BioengineeringChongqing UniversityChongqing400044PR China Key Laboratory of Low-grade Energy Utilization Technologies and Systems Chongqing UniversityMinistry of EducationSchool of Energy and Power EngineeringChongqing400044PR China

Macrophages play a central role in immunological responses to metallic species associated with the localized corrosion of metallic implants,and mediating in peri-implant ***,the pathways of localized corrosion-macrophage interactions were systematically investigated on 316L stainless steel(SS)implant *** monitoring under macrophage-mediated inflammatory conditions showed a decreased pitting corrosion resistance of 316L SSs in the presence of RAW264.7 cells as the cells would disrupt biomolecule adsorbed layer on the metal *** pitting potentials were furtherly decreased when the RAW264.7 cells were induced to the M1 pro-inflammatory phenotype by the addition of lipopolysaccharide(LPS),and pitting corrosion preferentially initiated at the peripheries of *** overproduction of aggressive ROS under inflammatory conditions would accelerate the localized corrosion of 316L SS around *** pitting corrosion condition,the viability and pro-inflammatory polarization of RAW264.7 cells were region-dependent,lower viability and more remarkable morphology transformation of macrophages in the pitting corrosion region than the pitting-free *** pitting corrosion of 316L SS induced high expression of CD86,TNF-α,IL-6 and high level of intracellular ROS in *** release of metallic species(Fe^(2+),Cr^(3+),Ni^(2+),etc)and uneven distribution of surface overpotential stimulated macrophage inflammatory responses near the corrosion pits.A synergetic effect of localized corrosion and macrophages was revealed,which could furtherly promote localized corrosion of 316L SS and macrophage inflammatory *** results provided direct evidence of corrosion-macrophage interaction in metallic implants and disclosed the pathways of this mutual stimulation effect.

关键词： Metallic implant Macrophage Localized corrosion Inflammatory reaction Material-cell interaction

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Recent progress in hydrogen:From solar to solar cell

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Journal of Materials Science & technology 2024年第9期176卷 236-257页

作者： Yanlin Li Zhu Ma Shanyue Hou Qianyu Liu Guangyuan Yan Xiaoshan Li Tangjie Yu Zhuowei Du Junbo Yang Yi Chen Wei You Qiang Yang Yan Xiang Shufang Tang Xuelin Yue Meng Zhang Wenfeng Zhang Jian Yu Yuelong Huang Jiale Xie Chun Tang Yaohua Mai Kuan Sun School of New Energy and Materials Southwest Petroleum University(SWPU)Chengdu 610500China Institute of New Energy Technology College of Information Science and TechnologyJinan UniversityGuangzhou 510632China Key Laboratory of Low-grade Energy Utilization Technologies and Systems(MoE) School of Energy and Power EngineeringChongqing UniversityChongqing 400044China

Hydrogen,meeting the requirements of sustainable development,is regarded as the ultimate energy in the 21st *** to the inexhaustible and feasible of solar energy,solar water splitting is an immensely promising strategy for environmental-friendly hydrogen production,which not only overcomes the fluctuation and intermittency but also contributes to achieving the mission of global“Carbon Neutrality and Carbon Peaking”.However,there is still a lack of a comprehensive overview focusing on hydrogen progress with a discussion of development from solar energy to solar ***,we emphasize several solar-to-hydrogen pathways from the basic concepts and principles and focus on photovoltaic-electrolysis and photoelectrochemical/photovoltaic systems,which have achieved solar-to-hydrogen(STH)efficiency of over 10%and have extremely promising for large-scale *** addition,we summarize the challenges and opportunities faced in this field including configuration design,electrode materials,and performance ***,perspectives on the potential commercial application and scientific research for the further development of solar-to-hydrogen are analyzed and presented.

关键词： Hydrogen Photovoltaics Catalysis STH efficiency Integrated module

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Accelerated discovery of novel high-performance zinc-ion battery cathode materials by combining high-throughput screening and experiments

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Chinese Chemical Letters 2023年第8期34卷 315-321页

作者： Haoran Luo Jiangbin Deng Qianzhi Gou Omololu Odunmbaku Kuan Sun Juanxiu Xiao Meng Li Yujie Zheng MOE Key Laboratory of Low-grade Energy Utilization Technologies and Systems School of Energy and Power EngineeringChongqing UniversityChongqing 400044China State Key Laboratory of Marine Resource Utilization in South China Sea School of Chemical Engineering and TechnologyHainan UniversityHaikou 570228China

Aqueous zinc ion batteries(AZIBs)have attracted much attention in recent years due to their high safety,low cost,and decent electrochemical ***,the traditional electrodes development process requires tedious synthesis and testing procedures,which reduces the efficiency of developing highperformance battery ***,we proposed a high-throughput screening strategy based on firstprinciples calculations to aid the experimental development of high-performance spinel cathode materials for *** obtained 14 spinel materials from 12,047 Mn/Zn-O based materials by examining their structures and whether they satisfy the basic properties of *** their band structures and density of states,open circuit voltage and volume expansion rate,ionic diffusion coefficient and energy barrier were further evaluated by first-principles calculations,resulting in five potential *** of the promising candidates identified,Mg_(2)MnO_(4),was experimentally synthesized,characterized and integrated into an AZIB based cell to verify its performance as a *** Mg_(2)MnO_(4)cathode exhibits excellent cycling stability,which is consistent with the theoretically predicted low volume ***,at high current density,the Mg_(2)MnO_(4)cathode still exhibits high reversible capacity and excellent rate performance,indicating that it is an excellent cathode material for *** work provides a new approach to accelerate the development of high-performance cathodes for AZIBs and other ion batteries.

关键词： Aqueous zinc ion battery Spinel High-throughput First-principles calculations Experiment Accelerate

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Optimization of Thermal Conductivity of Alumina-Filled Composites by Numerical Simulations

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Journal of Thermal Science 2023年第4期32卷 1569-1582页

作者： LI Shikun LIU Bin JIA Xiao XU Min ZONG Ruoyu LIU Guohua HUAI Xiulan Beijing Key Laboratory of Multiphase Flow and Heat Transfer for Low Grade Energy Utilization North China Electric Power UniversityBeijing102206China Institute of Engineering Thermophysics Chinese Academy of SciencesBeijing100190China Nanjing Institute of Future Energy System Nanjing211135China

Understanding the correlation between the physical features of composite components and thermal conductive pathway is beneficial to optimizing the overall heat-transfer ***,we conduct numerical simulation to investigate the thermal conductivity and heat flux distributions of alumina(Al_(2)O_(3))-filled *** finite element model was verified by both experimental data and theoretical *** crucial factors include the influence of the interface thermal resistance,the intrinsic thermal conductivity of the matrix and Al_(2)O_(3)filler,and the size effect of Al_(2)O_(3)fillers were *** single Al_(2)O_(3)-filled composites,the results indicate that increasing the intrinsic thermal conductivity of the matrix is conductive to bridge the Al_(2)O_(3)pathway along heat-transfer direction,but there are very limited contributions by enhancing the intrinsic thermal conductivity of Al_(2)O_(3)filler,tuning the size of Al_(2)O_(3)filler,and reducing the interface thermal *** introducing the multiscale fillers,it is found that the high thermal conductivity can be achieved by regulating their size matching *** the optimal binary ratio of 70:30(40µm:15µm)and ternary ratio of 55:35:10(40µm:15µm:10µm),the heat-conduction network presents the dominant skeleton of large-sized filler and the bridging branch of small-sized fillers features,which facilitates the formation of a complete and continuous thermal conductive *** study gives a practical guidance for the thermal conductive design of Al_(2)O_(3)-filled composites.

关键词： optimization size matching effect thermal conductivity numerical simulation multiscale Al_(2)O_(3)filler

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Organic cation-supported layered vanadate cathode for high-performance aqueous zinc-ion batteries

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Carbon energy 2025年第2期7卷 1-12页

作者： Changding Wang Yingfang Li Sida Zhang Tian-Yi Sang|Yu Lei Ruiqi Liu Fu Wan Yuejiao Chen Weigen Chen Yujie Zheng Shuhui Sun State Key Laboratory of Power Transmission Equipment Technology School of Electrical EngineeringNational Innovation Center for Industry-Education Integration of Energy Storage TechnologyChongqing UniversityChongqingChina Institute National de la Recherche Scientifique(INRS) CentreÉnergie Matériaux TélécommunicationsVarennesQuébecCanada MOE Key Laboratory of Low-grade Energy Utilization Technologies and Systems CQU-NUS Renewable Energy Materials&Devices Joint Laboratory School of Energy&Power EngineeringChongqing UniversityChongqingChina

Layered vanadates are ideal energy storage materials due to their multielectron redox reactions and excellent cation storage ***,their practical application still faces challenges,such as slow reaction kinetics and poor structural *** this study,we synthesized[Me_(2)NH_(2)]V_(3)O_(7)(MNVO),a layered vanadate with expended layer spacing and enhanced pH resistance,using a one-step simple hydrothermal gram-scale *** analyses and density functional theory(DFT)calculations revealed supportive ionic and hydrogen bonding interactions between the thin-layered[Me_(2)NH_(2)]+cation and[V_(3)O_(7)]-anion layers,clarifying the energy storage mechanism of the H^(+)/Zn^(2+)*** synergistic effect of these bonds and oxygen vacancies increased the electronic conductivity and significantly reduced the diffusion energy barrier of the insertion ions,thereby improving the rate capability of the *** an acidic electrolyte,aqueous zinc-ion batteries employing MNVO as the cathode exhibited a high specific capacity of 433 mAh g^(-1)at 0.1 A g^(-1).The prepared electrodes exhibited a maximum specific capacity of 237 mAh g^(-1)at 5 A g^(-1)and maintained a capacity retention of 83.5%after 10,000 *** work introduces a novel approach for advancing layered cathodes,paving the way for their practical application in energy storage devices.

关键词： [V_(3)O_(7)]-layers layered vanadates organic cations pH resistance zinc-ion batteries

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