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SSRN 2025年

作者： Xie, Peng-Xing Zhao, Qing-Yuan Dong, Haojie Long, Tao Ding, Meng-Sha Xie, Bin Wang, Xiaofeng Ling, Wei Liu, Mengting Wu, Xiongwei Wang, Peng-Fei Zeng, Xianxiang School of Chemistry and Materials Science Hunan Agricultural University Changsha410128 China Center of Nanomaterials for Renewable Energy State Key Laboratory of Electrical Insulation and Power Equipment School of Electrical Engineering Xi'an Jiaotong University Shaanxi Xi’an710049 China Key Laboratory of Physics and Technology for Advanced Batteries Ministry of Education College of Physics Electron Microscopy Center Jilin University Changchun130012 China Hunan Engineering Technology Research Center of Vanadium Flow Battery and Energy Storage System Hunan Changsha410036 China College of Chemistry and Chemical Engineering Hunan Normal University Hunan Changsha410081 China

Delivery of high energy density in polyanion compound-Na3V2(PO4)3 based on three-electron redox is still challenging because of their controversial multi-electron reaction mechanism and unsatisfactory electrochemical reversibility. Herein, the reversible V4+/V5+ redox (ca. 4.0 V) could be successfully activated in Na4VFe(PO4)3 cathode material through a Na-rich strategy, demonstrating a reversible specific capacity of 154.7 mAh g−1 at 0.1 C and 90.3 mAh g−1 after 800 cycles at 20 C, with 80% of the initial capacity retained. The entire electrochemical reaction undergoes a highly recoverable phase transition by in-situ X-ray diffraction. Impressively, the Na-rich strategy could not only allow Na2 site to be occupied to activate the V4+/V5+ redox pair confirmed by X-ray absorption near-edge structure spectroscopy, but also enable Na+ transportation across the generated vacancies rather than synergistic Na+ diffusion. Therefore, Na4VFe(PO4)3||hard carbon full batteries deliver a high specific capacity of 104.5 mAh g−1 and 90 mAh g−1 at 0.2 C and 5 C, respectively. This work provides rational design strategy of multi-electron transfer reaction in high-energy sodium-ion batteries. © 2025, The Authors. All rights reserved.

关键词： Sodium-ion batteries

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Direct numerical simulation of Taylor-Couette flow with vertical asymmetric rough walls

arXiv

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arXiv 2023年

作者： Xu, Fan Su, Jinghong Lan, Bin Zhao, Peng He, Yurong Sun, Chao Wang, Junwu School of Energy Science and Engineering Harbin Institute of Technology Harbin150001 China State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences P. O. Box 353 Beijing100190 China School of Chemical Engineering University of Chinese Academy of Sciences Beijing100049 China Innovation Academy for Green Manufacture Chinese Academy of Sciences Beijing100190 China Center for Combustion Energy Key Laboratory for Thermal Science and Power Engineering Ministry of Education Department of Energy and Power Engineering Tsinghua University Beijing100084 China Department of Engineering Mechanics School of Aerospace Engineering Tsinghua University Beijing100084 China

Direct numerical simulations are performed to explore the effects of the rotating direction of the vertically asymmetric rough wall on the transport properties of Taylor-Couette (TC) flow, up to a Taylor number of Ta = 2.39×107. It is shown that, compared to the smooth wall, the rough wall with vertical asymmetric strips can enhance the dimensionless torque Nuω. More importantly, at high Ta, clockwise rotation of the inner rough wall (where the fluid is sheared by the steeper slope side of the strips) results in a significantly greater torque enhancement compared to counter-clockwise rotation (where the fluid is sheared by the smaller slope side of the strips), due to the larger convective contribution to the angular velocity flux. However, the rotating direction has a negligible effect on the torque at low Ta. The larger torque enhancement caused by the clockwise rotation of the vertically asymmetric rough wall at high Ta is then explained by the stronger coupling between the rough wall and the bulk, attributed to the larger biased azimuthal velocity toward the rough wall at the mid-gap of the TC system, the increased turbulence intensity manifested by larger Reynolds stress and a thinner boundary layer, and the more significant contribution of the pressure force on the surface of the rough wall to the torque. Copyright © 2023, The Authors. All rights reserved.

关键词： Direct numerical simulation

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Sustainable hydrogen production from coal tar residue via supercritical water gasification

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Journal of Cleaner Production 2025年 519卷

作者： Jingui Bai Yu Wang Shi Liu Libo Lu Wen Cao Ting Chen Yunan Chen Liejin Guo State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University No.28 Xianning West Road Xi'an 710049 China Ningxia Baoting New Materials Technology Co. Ltd. Yinchuan 751400 Ningxia China

Hazardous wastes such as coal tar residue (CTR) pose a serious hazard to the environment and human health. In the context of ‘carbon peak and carbon neutrality’, the conversion of wasted resources into energy to replace fossil fuels is in line with the requirements of future social development. Supercritical water (SCW) offers a promising approach for converting hazardous waste CTR into energy. This article combines supercritical water gasification (SCWG) technology with the efficient utilization of CTR for the first time, providing a scientific solution for reducing environmental pollution and preparing hydrogen. In this article, we systematically investigated the effects of temperature (540–700 °C), residence time (5–60 min), material concentration (3 wt%-11 wt%), and six different catalysts on CTR SCWG. Experimental results indicate that higher temperature, longer reaction time, and lower CTR concentration are beneficial for gasification. When the temperature, retention time, material concentration, and catalyst are set at 700 °C, 60 min, 3 wt%, and K 2 CO 3 respectively, most of the carbon in the CTR is converted into small molecular gases. The carbon gasification efficiency (CE) reaches 94.44 %, while the H 2 yield attains a value of 67.56 mol kg −1 . Finally, based on the analysis results of gas, liquid and solid products, the SCWG mechanism of CTR is summarized.

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Application and Optimization of Monte Carlo Method for Simulation of Light Propagation in Biological Tissue

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Zhongguo Jiguang/Chinese Journal of Lasers 2025年第9期52卷

作者： Zhang, Hao Liu, Yifeng Wu, Wenjuan Li, Dong Chen, Bin State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Shaanxi Xi’an710049 China

Objective The Monte Carlo (MC) method has become a cornerstone for simulation of light propagation in biological tissues, particularly for applications in laser therapy and medical imaging. However, traditional voxel-based Monte Carlo (VMC) methods often exhibit significant errors when dealing with complex curved surfaces due to the inherent limitations of structured grid discretization. By contrast, tetrahedron-based Monte Carlo (TMC) methods, based on unstructured meshes, offer better adaptability to complex geometries but incur higher computational cost. This study aims to address the trade-off between computational efficiency and accuracy in light propagation simulations by proposing a novel correction method to improve the performance of VMC in handling curved interfaces with large refractive index differences. The objective is to enhance the accuracy of VMC while maintaining its computational efficiency, making it more viable for practical biomedical applications, such as laser treatment and optical diagnosis. Methods This study compares the performance of VMC and TMC in light propagation simulations under different refractive index conditions. We propose a coordinate transformation-based correction method to reduce the errors in VMC caused by the inaccurate handling of reflection and refraction at curved interfaces. The simulations were carried out on a multi-layer skin tissue model with varying refractive index conditions;the laser light was directed at blood vessels embedded within the dermis. The correction method involves transforming the photon direction vector in a way that accounts for the curvature of the interface, thereby improving the accuracy of light photon interactions at the tissue boundaries. Simulations were conducted using MATLAB, and the results were validated through experimental cases, such as diabetic retinopathy laser treatment. The computational setup included an Intel i7-9700K processor and an NVIDIA GTX 3080 graphics card (GPU). Resu

关键词： Laser surgery

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Efficient Water Reforming of Biomass to H2via Well-Organized Redox-Neutral Cleavage of C−C, O−H and C−H Bonds

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Angewandte Chemie 2024年第4期137卷

作者： Wen-Min Zhang Prof. Yang Li State Key Laboratory of Multi-phase Flow in Power Engineering and Frontier Institute of Science and Technology Xi'an Jiaotong University Xi'an 712046 China

Hydrogen (H 2 ) is a clean and environmentally friendly energy carrier. The depletion of fossil fuels makes renewable H 2 production highly desirable. Water reforming of renewable biomass to hydrogen, with a relay of natural photosynthesis to biomass, would be an indirect pathway to realize the ideal but extremely challenging photocatalytic overall water splitting to hydrogen, with favorable thermodynamics. Since the seminal work of water reforming of biomass in 1980, great endeavors have been made. Nevertheless, hitherto, the entire kinetic pathway has been elusive, which seriously limits the reforming processes. Using a designed well-organized redox-neutral cleavage of C−C, O−H and C−H bonds enabled by photoelectrocatalysis, here, we show the efficient water reforming of biomass to hydrogen at room temperature, with a yield up to 93 %. The clear insights into the kinetic pathway with oxidation of carbon radicals to carbon cations as the indicated rate-determining step, would cast brightness for efficient and sustainable hydrogen production to accelerate the hydrogen economy.

关键词： hydrogen production biomass reforming photoelectrocatalysis iron catalysis redox-neutral chemical bonds cleavage

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Degradation of polyethylene terephthalate (PET) and polypropylene (PP) plastics in seawater

DeCarbon

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DeCarbon 2023年 1卷

作者： Meixin Guan Hui Jin Wenwen Wei Mi Yan State Key Laboratory of Multiphase Flow in Power Engineering (SKLMF) Xi'an Jiaotong University 28 Xianning West Road Xi'an 710049 Shaanxi China State Key Laboratory of Silicon Materials School of Materials Science and Engineering Zhejiang University Hangzhou 310027 Zhejiang China

The world's marine litter consists mainly of plastic, and 99% of it does not float on the surface of the sea but on the seabed. The plastic carbon footprint necessarily includes the extraction or manufacture of raw materials, the conversion process, the distribution of products, the consumption of specific types of products and the disposal of the final product, as all these stages release carbon into the atmosphere. This work, inspired by marine microplastics and investigates how plastic waste is degraded and transformed in high-pressure, low-temperature seawater, this paper investigates the corrosion of polyethylene terephthalate (PET) and polypropylene (PP) plastics in seawater at high-pressure, using artificial seawater temperatures to simulate ocean temperatures of approximately 4 °C and time settings of 1 day–7 days. The results show that increasing the time enhances the degradation of the plastics and that changing the pressure has little effect on the degradation effect. Understanding its degradation in seawater can help us to better treat plastic waste and thus reduce the carbon footprint of the disposal process.

关键词： PET PP High-pressure seawater Degradation

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Atomically Dispersed Co Sites on BiOCl Nanosheets for Efficient CO 2 Photoreduction

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Green Energy & Environment 2025年

作者： Ting Peng Yiduo Wang Ke Wang Kaini Zhang Yiqing Wang Yufei Xu Qingqing Guan Guofu Wang Wenjie Zhang Binglan Wu Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an 710049 China College of Chemical and Biological Engineering Zhejiang University Hangzhou 310058 China Institute of Zhejiang University-Quzhou Quzhou 324000 China

Efficient CO 2 photoreduction to produce fuel remains a great challenge, due to the fast recombination of photogenerated charge carriers and the lack of effective reactive sites in the developed photocatalysts. Herein, single Co atoms (Co SA ) were highly dispersed on hydrothermally synthesized BiOCl nanosheets (BOC) by a facile two-step electrostatic self-assembly and pyrolysis method. The obtained Co SA -BOC could be performed for efficient CO 2 photoreduction to stoichiometrically produce CO and O 2 at the ratio of 2:1, with the CO evolution rate reaching 45.93 μmol g –1 h –1 , ∼4 times that of the pristine BOC. This distinctly improved photocatalytic performance for Co SA -BOC should be benefited from the introduction of atomically dispersed Co-O 4 coordination structures, which could accelerate the migration of photogenerated charge carriers to surface by creating an impurity energy level in the forbidden band, and act as the reactive sites to deliver the photogenerated electrons to activate CO 2 molecules for CO production. This work provides a facile and reliable strategy to highly disperse single atoms on low-dimensional semiconductors for efficient CO 2 photoreduction to selectively produce CO.

关键词： photocatalysis CO 2 reduction BiOCl nanosheets single Co atoms

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Study on the heat and mass transfer characteristics of wet air in metal foam in the space station environment

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Applied Thermal engineering 2025年 277卷

作者： Guowei Zhu Liang Zhang Yujuan Xia Hantao Zhou School of Energy and Power Engineering University of Shanghai for Science and Technology Shanghai 200093 China Key Laboratory of Multiphase Flow and Heat Transfer in Shanghai Power Engineering University of Shanghai for Science and Technology Shanghai 200093 China China National Institute of Standardization Beijing 100191 China

This paper has developed a novel dehumidification device for space station environment, which uses foam copper as the core, with a Stirling refrigerator providing cooling, heat pipes assisting in heat conduction and a siphon water guidance system employed to remove condensate. Experiments on dehumidifying wet air within the foam copper were then carried out under simulated microgravity dehumidification conditions. The experimental conditions included different inlet air temperatures, humidities, air velocities, and cold end temperatures of the Stirling refrigerator. The experimental research indicates that as the inlet air temperature rises from 20 °C to 30 °C, the mass transfer coefficient increases by 57.06 %, and the sensible heat coefficient rises by 10.62 %. When the air velocity increases from 0.4 m·s −1 to 1.4 m·s −1 , these two coefficients increase by 111.79 % and 170.83 %, respectively. In contrast, increasing the relative humidity from 50 % to 80 % results in a 34.09 % decrease in the sensible heat coefficient, while the mass transfer coefficient increases by 11.4 %. When the cold-end temperature rises from 8 °C to 13 °C, the sensible heat transfer and mass transfer coefficients increase by 9.63 % and 4.06 %, respectively. Based on this, a sensitivity analysis was conducted using the experimental data, and heat and mass transfer correlations were fitted. The mean standard deviations of the heat and mass transfer correlations are 3.74 % and 6.30 %, respectively, indicating a high degree of fitting accuracy. This work provides a new humidity control solution for future space station thermal management systems.

关键词： Heat and mass transfer Metal foam Space station environment Wet air

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Thermodynamic, life cycle, and techno-economic assessment of an autothermal supercritical water gasification system for direct processing raw pig manure: Hydrogen generation and ammonia recovery

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Energy 2025年 330卷

作者： Mingming Du Fan Liu Haoran Yuan Yu-nan Chen Jing Gu Guangzhou Institute of Energy Conversion Chinese Academy of Sciences (CAS) Guangzhou 510640 PR China State Key Laboratory of Multiphase Flow in Power Engineering (SKLMF) Xi'an Jiaotong University Xi'an Shaanxi 710049 PR China Guangdong Provincial Key Laboratory of Renewable Energy Guangzhou 510640 PR China

Supercritical water gasification (SCWG) exhibits an excellent potential for the conversion from pig manure (PM) to H 2 . However, the low solid content characteristic of raw PM and ammonia discharge significantly constrain the thermodynamic efficiency of SCWG. To address these limitations, a novel SCWG system was designed for simultaneous autothermal H 2 production and ammonia recovery from raw PM. Thermodynamic analysis, life cycle, and techno-economic were carried out to assess system performance. Results indicated that the novel system exhibited exceptional adaptability to variations in concentration and mass flow of raw PM, with autothermal H 2 production achieved even at low concentration of 10 %. Raw PM was converted into high-concentration slurries through pulping operations, thereby reducing exergy losses of gasification, heat exchange, and cooling units. Further, the system implemented an efficient ammonia recovery utilizing steam generated during the pulping stage. Under a typical scenario, energy efficiency, exergy efficiency, GWPs, and EP of the novel system reached 50.34 %, 45.99 %, 0.005 kgCO 2 -eq/kgH 2 , and 0.07 kgNO 3 - -eq/kg H 2 , respectively. The levelized hydrogen cost of the new system was 15.81 CNY/kg. This study provides a valuable solution for autothermal SCWG of low-solid-content and high-nitrogen-content feedstocks to produce H 2 and recover ammonia.

关键词： Ammonia recovery Autothermal hydrogen generation Raw pig manure Supercritical water gasification Thermodynamic analysis

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Prediction of the severe slugging period in gas-liquid two-phase pipeline-riser systems using an artificial neural network

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Energy 2025年 331卷

作者： Yingjie Chang Qiang Xu Bo Huang Xuemei Zhang Haiyang Yu Hao Chen Dominique Thévenin Liejin Guo Shaanxi Key Laboratory of New Transportation Energy and Automotive Energy Saving School of Energy and Electrical Engineering Chang'an University 710064 Xi'an China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University 710049 Xi'an China Laboratory of Fluid Dynamics and Technical Flows Otto-von-Guericke-Universität Magdeburg 39106 Magdeburg Germany

Severe slugging flow (SS) is a very harmful flow regime found during oil and gas transportation. An accurate prediction of the SS period would help to obtain the needed conditions for regime transition models, which are essential when designing and operating an oil and gas field. However, previous empirical correlations are limited to specific flow and structural conditions, resulting in significant errors whenever these parameters deviate. Gas-liquid two-phase flow experiments in a pipeline-riser system were carried out and used as additional training data. The analysis of scatter matrix and correlation coefficient was used to determine the most relevant features impacting SS period. Then, a prediction model based on an artificial neural network (ANN) was established with one single output (the SS period) and seven input features, including five pipeline structural parameters and two flow parameters. The prediction errors coming with previous empirical models are much larger than those of our ANN model. While the relative errors of the empirical models range from −95 % to 3000 %, the ANN has a prediction error within a range of 25 % and a mean absolute error of only 11.3 %, showing a significant improvement over previous predictions.

关键词： Gas industry

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