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SSRN 2024年

作者： Li, Xinyu Zhang, Dalin Jiang, Dianqiang Zhou, Xingguang Lv, Xindi Tian, Wenxi Qiu, Suizheng Su, Guanghui 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

The new generation of reactor technology: Fluoride-Salt-cooled high-Temperature Advanced Reactor (FuSTAR), mainly applied to remote, underground, and arid areas. The design of the heat transport system and Passive Residual Heat Removal System (PRHRS) of FuSTAR has been finished, but the verification still needs to be carried out. In this study, the Definite Solution Analogy Theory (DSAT) was used for scaling analysis, and the scaling experiment platform was built. DSAT was verified through numerical simulation and experiment results. The numerical test results show the similarity of physical fields in dimensionless space on the prototype and experiment under the DSAT framework. The steady-state experiment results show that the prototype of PRHRS can take away more than 1% of the decay heat of the total thermal power. The transient experiment results show that the maximum deviation of dimensionless solutions is less than 4%, which proves the high accuracy of DSAT and the PRHRS based on this framework can effectively remove the decay heat in the reactor. This work can be used to extend the scaling method of thermal-hydraulic in high dimensional space and transient conditions. © 2024, The Authors. All rights reserved.

关键词： Fluorine compounds

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Experimental and Numerical Simulation Study on Critical Heat Flux in Narrow Rectangular Channels

SSRN

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SSRN 2024年

作者： Lv, Xindi Zhang, Dalin Song, Gongle Su, Guanghui 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

Experimental investigation was performed on the critical heat flux (CHF) in narrow rectangular channels. The rectangular channel adopts single-side heating, the channel gaps were 1.3 and 1.9mm, the system pressure was 1~4Mpa, the inlet subcooling was 20~100K, and the mass flux was 200~1500 kg/(m2⋅s). The variation of CHF in vertical upward flow with different thermal parameters and geometric dimensions was studied. A three-fluid transient model was established to calculate the CHF of vertical upward annular flow in narrow rectangular channel. The calculation model was validated with CHF experimental data and the results were in good agreement. Combining experimental and theoretical research results, it could be concluded that the mass flow rate played an important role in the critical heat flux phenomenon of narrow rectangular channel, and its magnitude directly affected the effect of changes in thermal parameters such as pressure, mass flow rate and inlet subcooling on CHF. © 2024, The Authors. All rights reserved.

关键词： Heat flux

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Study on supercritical water regeneration of bio-based activated carbon saturated with acid red G

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Carbon Resources Conversion 2024年

作者： Mu, Yaling Zhuang, Zitong Jiang, Kun Wei, Yimeng Meng, Anjun Jin, Hui State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Shaanxi Xi'an710049 China CNNP CHD Hebei Nuclear Power Co. Ltd. Hebei Cangzhou061000 China

The dye and textile industry commonly employs activated carbon adsorption technology due to its cost-effectiveness and high efficiency. However, disposing of waste-activated carbon has a significant environmental and human health impact, and it's a huge economic waste. This study investigates the kinetic and isothermal adsorption characteristics of Acid Red G dye adsorption by Powdered Activated Carbon derived from coconut shells. To effectively reuse activated carbon and maximise resource conservation, regeneration experiments were carried out using Supercritical Water at 24 MPa and 400 ℃ for 30 min. The experimental results demonstrated that, in comparison with thermal regeneration, supercritical water possesses the benefits of environmental protection, economic efficiency and extensive applicability. This is of considerable importance to the field of research concerning the regeneration of activated carbon. © 2024

关键词： Carbon sequestration

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Front tracking simulation of droplet displacement on solid surfaces by soluble surfactant-driven flows

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Physical Review Fluids 2024年第1期9卷 014002-014002页

作者： Xinglong Shang Zhengyuan Luo Bofeng Bai Long He Guoqing Hu Hangzhou Institute of Technology Xidian University Hangzhou 311200 China Department of Engineering Mechanics and State Key Laboratory of Fluid Power and Mechatronic Systems Zhejiang University Hangzhou 310027 China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China College of Mechanical and Electrical Engineering Shaanxi University of Science and Technology Xi'an 710021 China

We provide comprehensive numerical insights into the displacement of droplets subject to soluble surfactant-driven flows. The effects of soluble surfactants on the dynamics of moving contact lines are introduced by the surfactant-dependent generalized Navier boundary condition. We show that surfactant transport significantly influences the displacement patterns of droplets on solid surfaces, affecting both the equilibrium state of the sliding motion and the critical conditions for detachment. In particular, a linear increase in the displacement velocity of a droplet with the dimensionless adsorption depth K is observed. This rate of increase is more pronounced at higher elasticity numbers, as evidenced by a more significant increase in the advancing contact angle. The critical condition for droplet detachment depends on the surfactant's ability to swiftly adsorb from the bulk and replenish at interfaces, which is improved as the Biot number Bi or K increases. Adsorption is enhanced by an increase in Bi, resulting in a decrease in the required time td for droplet detachment. However, this enhancement effect becomes nonmonotonic at high Bi values. In contrast, consistently increasing the bulk Peclet number decreases td, eventually approaching the convection limit where the Marangoni-induced drag force ceases to increase. In addition, surfactant transfer near the moving contact line at a moderate Damköhler number restricts the motion of the advancing contact lines, promoting droplet detachment. For all detachment scenarios, we find that detachment necessitates a critical effective capillary number, and an increase in this number results in an exponential decline in td.

关键词： Contact line dynamics Drop & bubble phenomena Marangoni convection Surface tension effects

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Cooperative structure of Li/Ni mixing and stacking faults for achieving high-capacity Co-free Li-rich oxides

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Journal of Energy Chemistry 2024年第8期95卷 315-324,I0007页

作者： Zhen Wu Yu-Han Zhang Hao Wang Zewen Liu Xudong Zhang Xin Dai Kunyang Zou Xiaoming Lou Xuechen Hu Lijing Ma Yan Liu Yongning Liu State Key Laboratory for Mechanical Behavior of Materials Xi’an Jiaotong UniversityXi’an 710049ShaanxiChina Qingdao Industrial Energy Storage Research Institute Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of SciencesQingdao 266101ShandongChina Hefei Advanced Computing Center Operation Management Corp Ltd Hefei 230088AnhuiChina Center for High Performance Computing Network Information CenterXi’an Jiaotong UniversityXi’an 710049ShaanxiChina Wuhan Dongfeng Motor Corporation Ltd Wuhan 430056HubeiChina School of Materials Science and Intelligent Engineering Nanjing UniversitySuzhou 215163JiangsuChina Key Laboratory of MEMS of the Ministry of Education Southeast UniversityNanjing 210096JiangsuChina International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049ShaanxiChina

Co-free Li-rich layered oxides(LLOs)are emerging as promising cathode materials for Li-ion batteries due to their low cost and high ***,they commonly face severe structural instability and poor electrochemical activity,leading to diminished capacity and voltage ***,we introduce a Co-free LLO,Li_(1.167)Ni_(0.222)Mn_(0.611)O_(2)(Cf-L1),which features a cooperative structure of Li/Ni mixing and stacking *** structure regulates the crystal and electronic structures,resulting in a higher discharge capacity of 300.6 mA h g^(-1)and enhanced rate capability compared to the typical Co-free LLO,Li_(1.2)Ni_(0.2)Mn_(0.6)O_(2)(Cf-Ls).Density functional theory(DFT)indicates that Li/Ni mixing in LLOs leads to increased Li-O-Li configurations and higher anionic redox activities,while stacking faults further optimize the electronic interactions of transition metal(TM)3d and non-bonding O 2p ***,stacking faults accommodate lattice strain,improving electrochemical reversibility during charge/discharge cycles,as demonstrated by the in situ XRD of Cf-L1 showing less lattice evolution than *** study offers a structured approach to developing Co-free LLOs with enhanced capacity,voltage,rate capability,and cyclability,significantly impacting the advancement of the next-generation Li-ion batteries.

关键词： Co-free Li-rich oxides Li/Ni mixing Stacking faults Electronic structure

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Heat and power Load Prediction for Combined Heat and power Station with Different Methods

Heat and Power Load Prediction for Combined Heat and Power S...

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Digital Twins and Parallel Intelligence (DTPI), IEEE International Conference on

作者： Lin Wang Tingting Yu Chen Chen Yaokui Gao Lin Gao Binbin Qiu Ming Liu Xi’an Thermal Power Research Institute Co. Ltd. Xi’an China State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an China

ISBN: (数字)9798350349252

ISBN: (纸本)9798350349269

The accurate short-term load prediction is an essential prerequisite for ensuring the reliable and economic operation of combined heat and power stations. In this study, the heat load and power load prediction models of combined heat and power station were developed with long short-term memory (LSTM) and multiple linear regression (MLR), respectively. The preprocessing and correlation analysis of heat and power loads were conducted. The prediction effects of different prediction models were also compared and analyzed. Taking the data of February as an example, the mean absolute percentage error (MAPE) of heat load prediction with LSTM and MLR models are 3.20% and 3.75%, respectively, and the MAPE of power load prediction are 5.59% and 8.76%, respectively. The prediction results show that the performance of the LSTM model is better than that of the MLR model, and the prediction accuracy of the heat load is higher than that of the power load.

关键词： Correlation Accuracy Cogeneration Biological system modeling Linear regression Predictive models Data models Thermal loading Long short term memory Load modeling

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Intra-Ring Bridging:A Strategy for Molecular Design of Highly Energetic Nitramines

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Chinese Journal of Chemistry 2021年第10期39卷 2857-2864页

作者： Linyuan Wen Tao Yu Weipeng Lai Jinwen Shi Maochang Liu Yingzhe Liu Bozhou Wang State Key Laboratory of Fluorine&Nitrogen Chemicals Xi'an Modern Chemistry Research InstituteXi'anShaanxi710065 China International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'anShaanxi 710049China

Main observation and conclusion Important progress has been made in the development of energetic molecules with high performance by computer-aided molecular design in recent years,but structural novelty of organic scaffolds is *** this work,we propose an intra-ring bridging strategy inspired by the known energetic nitramines to design novel polycyclic and cage energetic *** than 100 energetic structures were designed by introducing the C—C bridges and increasing the ring *** synthesis difficulty is considered besides the two most concerned properties of EMs,energy and *** a comprehensive estimation,a symmetric cage molecule labeled as 8U-30 was finally selected because of its relatively high detonation performance,and comparable impact sensitivity as well as synthetic accessibility with ***,the proposed strategy could be utilized in further molecular design to gain various scaffolds,especially cage structures,for different demands.

关键词： Molecular modeling Energetic materials Cage compounds Computational chemistry Nitramines

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PLIF thermometry using OH origin from photo dissociation of water 6

PLIF thermometry using OH origin from photo dissociation of ...

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6th International Symposium on Laser Interaction with Matter

作者： Li, Guohua Ye, Jingfeng Zhang, Zhenrong Wang, Sheng Shao, Jun Hu, Zhiyun Wang, Jinhua Huang, Zuohua State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an China State Key Laboratory of Laser Interaction with Matter Northwest Institute of Nuclear Technology Xi’an China Shanghai Jiao Tong University Sichuan Research Institute Chengdu China

ISBN: (纸本)9781510660236

A technique that expands the OH-LIF thermometry range is developed. The PLIF of OH from dissociation of water in gas phase is used for temperature measurement both in flame and room air. The thermometry results from photo-fragmentation laser induced fluorescence(PF-PLIF) at time delay from 200ns to 1ms after dissociation agree well with results from PLIF of OH from burning which are calibrated by CARS thermometry. And the results in room air agree with environment temperature at time delay from 50ns to 0.2ms. These two results validate the PF-PLIF thermometry method both in flame and room temperature, which allowing thermometry at low temperature or non-reaction region. At last the PF-PLIF was applied in a jet flow, and the temperature results from PF-PLIF, PLIF and CARS at different height of jet were compared. © 2022 SPIE.

关键词： Dissociation

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Manipulating d-d orbital hybridization induced by Mo-doped Co_(9)S_(8) nanorod arrays for high-efficiency water electrolysis

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Journal of Energy Chemistry 2024年第6期93卷 592-600,I0015页

作者： Xue Zhou Jing Li Guangyao Zhou Weiran Huang Yucan Zhang Jun Yang Huan Pang Mingyi Zhang Dongmei Sun Yawen Tang Lin Xu Jiangsu Key Laboratory of New Power Batteries Jiangsu Collaborative Innovation Centre of Biomedical Functional MaterialsSchool of Chemistry and Materials ScienceNanjing Normal UniversityNanjing 210023JiangsuChina 'College of Science Jinling Institute of TechnologyNanjing 211169JiangsuChina State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Nanjing IPE Institute of Green Manufacturing Industry Nanjing 211100JiangsuChina School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhou 225009JiangsuChina Key Laboratory for Photonic and Electronic Bandgap Materials Ministry of EducationSchool of Physics and Electronic EngineeringHarbin Normal UniversityHarbin 150025HeilongjiangChina

Precisely refining the electronic structure of electrocatalysts represents a powerful approach to further optimize the electrocatalytic ***,we demonstrate an ingenious d-d orbital hybridization concept to construct Mo-doped Co_(9)S_(8) nanorod arrays aligned on carbon cloth(CC)substrate(abbreviated as Mo-Co_(9)S_(8)@CC hereafter)as a high-efficiency bifunctional electrocatalyst toward water *** has experimentally and theoretically validated that the 4d-3d orbital coupling between Mo dopant and Co site can effectively optimize the H_(2)O activation energy and lower H^(*)adsorption energy barrier,thereby leading to enhanced hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)*** to the unique electronic and geometrical advantages,the optimized Mo-Co_(9)S_(8)@CC with appropriate Mo content exhibits outstanding bifunctional performance in alkaline solution,with the overpotentials of 75 and 234 mV for the delivery of a current density of 10 mA cm^(-2),small Tafel slopes of 53.8 and 39.9 mV dec~(-1)and long-term stabilities for at least 32 and 30 h for HER and OER,*** impressively,a water splitting electrolylzer assembled by the self-supported Mo-Co_(9)S_(8)@CC electrode requires a low cell voltage of 1.53 V at 10 mA cm^(-2)and shows excellent stability and splendid reversibility,demonstrating a huge potential for affordable and scalable electrochemical H_(2) *** innovational orbital hybridization strategy for electronic regulation herein provides an inspirable avenue for developing progressive electrocatalysts toward new energy systems.

关键词： d-d orbital hybridization Transition metal sulfides Nanorods arrays Water electrolysis

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Molecular dynamics study of shale oil adsorption and diffusion behavior in reservoir nanopores: Impact of hydrocarbon composition and surface type

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Journal of Molecular Liquids 2024年第PartA期414卷

作者： Zheng, Lichen Zhao, Qiuyang Adams, Michael J. Alexiadis, Alessio Wang, Yechun Jin, Hui Guo, Liejin State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China School of Chemical Engineering University of Birmingham BirminghamB15 2TT United Kingdom

Understanding shale oil adsorption in reservoir nanopores is essential for efficient extraction. This study used MD simulations to analyze the adsorption and diffusion of two- and multi-component hydrocarbons (Aromatics, Alkanes, Resin) on various shale surfaces (Calcite, Montmorillonite, Quartzite, Organic) at 353 K and 25 MPa. Hydrocarbons formed a bilayer adsorption structure comprising a high-concentration adsorption layer (L1, 0.35–0.90 g/cm3) and a low concentration weak adsorption layer (L2), with adsorption density ranked as Resin > Aromatics > Alkanes. Reservoir surfaces were classified as ionic (e.g., calcite, montmorillonite) and non-ionic (e.g., quartz, graphite), and polar hydrocarbons exhibited higher adsorption densities and energies on ionic surfaces due to combined electrostatic and van der Waals interactions, while non-ionic surfaces showed smaller adsorption differences. For multicomponent hydrocarbons, adsorption layer densities followed the order: graphite > MMT-SiO > quartz > calcite > MMT-Na, with competitive adsorption observed. The polar component exhibited a greater adsorption advantage on the calcite, MMT-SiO side and graphite surfaces due to electrostatic interactions and π-π interactions, and a lesser advantage on the MMT-Na side and quartz surfaces. Hydrocarbon diffusivity was influenced by molecular mass and polarity and ordered as Alkanes > Aromatics Resin. Polar molecules had a weaker diffusion than nonpolar molecules at similar molecular masses. Among the multicomponent hydrocarbons, the self-diffusion coefficient (Self-D) of Resin increased, while that of lighter components decreased compared to two-component systems. These findings offer strategies for improving shale oil recovery by tailoring injection fluids to reservoir types, anionic surfactants or chelating agents may be used to reduce electrostatic interactions in carbonate and clay reservoirs, while nonionic surfactants may be more effective in quartz reservoirs. © 2024

关键词： Nonionic surfactants

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