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CFD-DEM simulation of fluorination reaction in fluidized beds with local grid and time refinement method

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Particuology 2024年第1期84卷 145-157页

作者： Mofan Qiu Lin Jiang Rongzhen Liu Yaping Tang Malin Liu Institute of Nuclear and New energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing100084China

The gas-solid reaction process with wide particle size distribution is extensively used in the chemical engineering field,especially the particle reacts with the gas gradually,such as fluorination reactions in fluidized beds.When the computational fluid dynamics-discrete element method(CFD-DEM)is used for the coupling simulation of multiphase and polydisperse particle reaction system,the grid size directly affects the accuracy of flow field information and simulation of chemical reaction.Furthermore,particle calculation time step will directly affect the efficiency of coupling calculation.In this work,a local grid and time step refinement method is proposed to simulate multiphase and polydisperse particle fluid-ization reaction system.In this method,the refined DEM grids are automatically generated in the computational domain around the fine particles,and the detailed fluid phase information is obtained with the interpolation algorithm.In the two-phase coupling process,particles are divided into different groups based on physical properties,each group has its own independent time step.The multistage conical-cylindrical spouted bed is proposed for the fluorination reaction process;the operating gas ve-locity range of the polydisperse particle system is extended by the new design while the particle size distribution changes with the gas-solid reaction process.It is demonstrated that the local grid and time step refinement method can improve the accuracy and efficiency of the traditional CFD-DEM method in the reaction process simulation,which describes a polydisperse particle system with wide particle size distribution.Aimed at improving the simulation accuracy and efficiency,this paper will be helpful for simulating the particle reaction process in the gas-solid fluidized bed and beneficial for the development of the CFD-DEM method.

关键词： CFD-DEM Polydisperse particle Two-phase flow Fluidized bed

Optimized the vanadium electrolyte with sulfate-phosphoric mixed acids to enhance the stable operation at high-temperature

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Frontiers of Chemical Science and Engineering 2024年第2期18卷 13-26页

作者： Ling Ge Tao Liu Yimin Zhang Hong Liu School of Resource and Environmental Engineering Wuhan University of Science and TechnologyWuhan 430081China State Environmental Protection Key Laboratory of Mineral Metallurgical Resources utilization and Pollution Control Wuhan University of Science and TechnologyWuhan 430081China hubei collaborative innovation center for high Efficient utilization of Vanadium Resources Wuhan University of Science and TechnologyWuhan 430081China hubei Provincial Engineering Technology Research center of high Efficient Cleaning utilization for Shale Vanadium Resource Wuhan University of Science and TechnologyWuhan 430081China School of Resource and Environmental Engineering Wuhan University of TechnologyWuhan 430070China

Herein, the influence of the concentration design and comprehensive performance of the sulfate-phosphoric mixed acid system electrolyte is investigated to realize an electrolyte that maintains high energy density and stable operation at high temperatures. Static stability tests have shown that VOPO4 precipitation occurs only with vanadium(V) electrolyte. The concentration of vanadium ion of 2.0–2.2 mol·L^(–1), phosphoric acid of 0.10–0.15 mol·L^(–1), and sulfuric acid of 2.5–3.0 mol·L^(–1) are suitable for a vanadium redox flow battery in the temperature range from –20 to 50 ℃. The equations for predicting the viscosity and conductivity of electrolytes are obtained by the response surface method. The optimized electrolyte overcomes precipitation generation. It has 2.8 times higher energy density than the non-phosphate electrolyte, and a coulomb efficiency of 94.0% at 50 ℃. The sulfate-phosphoric mixed acid system electrolyte promotes the electrode reaction process, increases the current density, and reduces the resistance. This work systematically optimizes the concentrations of composition of positive and negative vanadium electrolytes with mixed sulfate-phosphoric acid. It provides a basis for the different valence states and comprehensive properties of sulfate-phosphoric mixed acid system vanadium electrolytes under extreme environments, guiding engineering applications.

关键词： all vanadium redox flow battery mixed-acid vanadium electrolyte concentration optimization response surface methodology high-temperature stability

A novel method for the green utilization of waste fried oil

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Particuology 2024年第1期84卷 1-11页

作者： Gan Cheng Mengni Zhang Yang Lu Yanhui Zhang Bin Lin Ee Von Lau College of Chemistry and Chemical Engineering Henan Polytechnic UniversityJiaozuo454003China Henan Key Laboratory for Green and Efficient Mining&Comprehensive utilization of Mineral Resources Henan Polytechnic UniversityJiaozuo454003China collaborative innovation center of Coal Work Safety and Clean high efficiency utilization Henan Polytechnic UniversityJiaozuo454003China School of Engineering Monash University MalaysiaSubang JayaSelangor47500Malaysia

Waste fried oil was studied to prepare three different types of detergent such as soap,liquid soap and soap powder via saponification process.The preparation conditions of soap base were optimized by orthogonal experiment.The specific preparation processes included waste fried oil treatment,orange peel extract preparation,saponification,demoulding and drying.Results showed that the optimal con-ditions for saponification were as follows:ratio of pure waste fried oil to coconut oil=6∶4,alkali liquor(NaOH)mass fraction 30%,saponification temperature 70℃,orange peel extract concentration 15%.The mature soap was then used to make liquid soap and soap powder by surfactant(sodium dodecylbenzene sulfonate,coconut diethanol amide)addition,followed by grinding.The prepared detergent conforms to the production standard of strong decontamination ability,possesses stable performance,is gentle to skin and non-toxic.

关键词： Waste fried oil Detergent Saponification Decolorization

Achieving a superior Na storage performance of Fe-based Prussian blue cathode by coating perylene tetracarboxylic dianhydride amine

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Carbon energy 2024年第5期6卷 53-64页

作者： Xin-Yuan Fu Lu-Lu Zhang Zhao-Yao Chen Yunkai Xu Junxiu Wu Cheng-Cheng Wang Xiao-Kai Ding Xue-Lin Yang Jun Lu hubei Provincial collaborative innovation center for New energy Microgrid College of Electrical Engineering&New EnergyChina Three Gorges UniversityYichangHubeiChina College of Materials and Chemical Engineering China Three Gorges UniversityYichangHubeiChina College of Chemical and Biological Engineering Zhejiang UniversityHangzhouChina

Fe-based Prussian blue(Fe-PB)cathode material shows great application potential in sodium(Na)-ion batteries due to its high theoretical capacity,long cycle life,low cost,and simple preparation process.However,the crystalline water and vacancies of Fe-PB lattice,the low electrical conductivity,and the dissolution of metal ions lead to limited capacity and poor cycling stability.In this work,a perylene tetracarboxylic dianhydride amine(PTCDA)coating layer is successfully fabricated on the surface of Fe-PB by a liquid-phase method.The aminated PTCDA(PTCA)coating not only increases the specific surface area and electronic conductivity but also effectively reduces the crystalline water and vacancies,which avoids the erosion of Fe-PB by electrolyte.Consequently,the PTCA layer reduces the charge transfer resistance,enhances the Na-ion diffusion coefficient,and improves the structure stability.The PTCA-coated Fe-PB exhibits superior Na storage performance with a first discharge capacity of 145.2 mAh g^(−1) at 100 mA g^(−1).Long cycling tests exhibit minimal capacity decay of 0.027%per cycle over 1000 cycles at 1 A g^(−1).Therefore,this PTCA coating strategy has shown promising competence in enhancing the electrochemical performance of Fe-PB,which can potentially serve as a universal electrode coating strategy for Na-ion batteries.

关键词： cathode material coating Fe-based Prussian blue Na-ion batteries perylene tetracarboxylic dianhydride amine

Ultra-high energy cosmic neutrinos from gamma-ray bursts

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Fundamental Research 2024年第1期4卷 51-56页

作者： Yanqi Huang Bo-Qiang Ma School of Physics Peking UniversityBeijing 100871China center for high energy Physics Peking UniversityBeijing 100871China collaborative innovation center of Quantum Matter Beijing 100871China

Based on the recent association of IceCube TeV and PeV neutrino events with gamma-ray bursts(GRBs)by considering the Lorentz violation of neutrinos,we provide a new estimate on the GRB neutrino flux with a more significant result compared to the previous constraint by the IceCube Collaboration.Among these 24 neutrino“shower”events above 60 TeV,12 events are associated with GRBs.Such a result is compatible with the prediction from GRB fireball models.Analysis of track events provides a consistent result with the shower events to associate high energy cosmic neutrinos with GRBs under the same Lorentz violation features of neutrinos.We also make a background estimation and reveal GRBs as a significant source for the ultra-high energy IceCube neutrino events.Our work supports the Lorentz violation and CPT-violation of neutrinos,indicating new physics beyond relativity.

关键词： Cosmic neutrino Gamma-ray burstLorentz invariance violation Neutrino and anti-neutrino asymmetry CPT-violation of neutrinos

Mn-doped LiFePO_(4)@C as a high-performance cathode material for lithium-ion batteries

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Particuology 2024年第7期90卷 418-428页

作者： Wenjing Chen Fangxiang Song Yumei Yang Qianlin Chen School of Chemistry and Chemical Engineering Guizhou UniversityGuiyang550025China collaborative innovation center of Guizhou Province for Efficient utilization of Phosphorus and Fluorine Resources Guizhou UniversityGuiyang550025China

In this work,LiFe_(1-x)MnxPO_(4)@C(x=0,0.01,0.02,0.03)cathode materials were obtained by a simple co-precipitation method and heat treatment,and the influence of Mn-doped modification on the electrochemical performance of LiFePO_(4)@C cathode materials was investigated.Results show that by doping an appropriate amount of Mn,the cell volume became larger,and the electronic conductivity increased,which improved the Li+diffusion rate and thus its rate capability and cycle performance of Li-ion batteries.Among them,LiFe_(0.98)Mn_(0.02)PO_(4)@C showed superior lithium storage capability;the discharge capacity can reach 150.7 mAh g^(−1)at 0.1 C.The cell could discharge up to 155.9 mAh g^(−1)at 1 C under high temperature at 45°C,which was higher than LiFePO_(4)@C(142 mAh g^(−1))under the same test conditions.The discharge capacity of 1 C at room temperature was 139.9 mAh g^(−1),and the cycle stability was 95.9%after 200 cycles.It showed that it had good rate capability and excellent cycle performance.These results indicate that Mn-doped LFP is a simple and effective strategy for developing high-performance cathode materials.

关键词： Mn-doped LiFePO_(4) Lithium-ion battery high temperature

Lithiophilic Li-Si alloy-solid electrolyte interface enabled by high-concentration dual salt-reinforced quasi-solid-state electrolyte

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Journal of energy Chemistry 2024年第8期95卷 216-230页

作者： Yuanxing Zhang Ling Zhang Zhiguang Zhao Yuxiang Zhang Jingwen Cui Chengcai Liu Daobin Mu Yuefeng Su Borong Wu Feng Wu School of Materials Science and Engineering Beijing Institute of Technology Chongqing innovation center Beijing Institute of Technology collaborative innovation center of Electric Vehicles in Beijing

Solid polymer electrolytes（SPEs） are urgently required to achieve practical solid-state lithium metal batteries（LMBs） and lithium-ion batteries（LIBs）,Herein,we proposed a mechanism for modulating interfacial conduction and anode interfaces in high-concentration SPEs by LiDFBOP.Optimized electrolyte exhibits superior ionic conductivity and remarkable interface compatibility with salt-rich clusters:（1）polymer-plastic crystal electrolyte（P-PCE,TPU-SN matrix） dissociates ion pairs to facilitate Li+transport in the electrolyte and regulates Li+diffusion in the SEI.The crosslinking structure of the matrix compensates for the loss of mechanical strength at high-salt concentrations;（2） dual-anion TFSI-_n-DFBOP-min the Li+solvation sheath facilitates facile Li+desolvation and formation of salt-rich clusters and is conducive to the formation of Li conductive segments of TPU-SN matrix;（3） theoretical calculations indicate that the decomposition products of LiDFBOP form SEI with lower binding energy with LiF in the SN system,thereby enhancing the interfacial electrochemical redox kinetics of SPE and creating a solid interface SEI layer rich in LiF.As a result,the optimized electrolyte exhibits an excellent ionic conductivity of9.31 × 10-4S cm-1at 30℃ and a broadened electrochemical stability up to 4.73 V.The designed electrolyte effectively prevents the formation of Li dendrites in Li symmetric cells for over 6500 h at0.1 mA cm-2.The specific Li-Si alloy-solid state half-cell capacity shows 711.6 mAh g-1after 60 cycles at 0.3 A g-1. Excellent rate performance and cycling stability are achieved for these solid-state batteries with Li-Si alloy anodes and NCM 811 cathodes.NCM 811‖ Prelithiated silicon-based anode solid-state cell delivers a discharge capacity of 195.55 mAh g-1and a capacity retention of 97.8% after 120 cycles.NCM 811‖Li solid-state cell also delivers capacity retention of 84.2% after 450 cycles.

关键词： Li-Si alloy anode Prelithiation SEI layer Solid-state electrolyte

Synergistic effects of carbon cycle metabolism and photosynthesis in Chinese cabbage under salt stress

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Horticultural Plant Journal 2024年第2期10卷 461-472页

作者： Hao Liang Qiling Shi Xing Li Peipei Gao Daling Feng Xiaomeng Zhang Yin Lu Jingsen Yan Shuxing Shen Jianjun Zhao Wei Ma State Key Laboratory of North China Crop Improvement and Regulation Key Laboratory of Vegetable Germplasm Innovation and Utilization of HebeiCollaborative Innovation Center of Vegetable Industry in HebeiCollege of HorticultureHebei Agricultural UniversityBaodingHebei 071000China

Chinese cabbage(Brassica rapa ssp. pekinensis) has a long cultivation history and is one of the vegetable crops with the largest cultivation area in China. However, salt stress severely damages photosynthesis and hormone metabolism, nutritional balances, and results in ion toxicity in plants. To better understand the mechanisms of salt-induced growth inhibition in Chinese cabbage, RNA-seq and physiological index determination were conducted to explore the impacts of salt stress on carbon cycle metabolism and photosynthesis in Chinese cabbage. Here, we found that the number of thylakoids and grana lamellae and the content of starch granules and chlorophyll in the leaves of Chinese cabbage under salt stress showed a time-dependent response, first increasing and then decreasing. Chinese cabbage increased the transcript levels of genes related to the photosynthetic apparatus and carbon metabolism under salt stress, probably in an attempt to alleviate damage to the photosynthetic system and enhance CO_(2) fixation and energy metabolism. The transcription of genes related to starch and sucrose synthesis and degradation were also enhanced;this might have been an attempt to maintain intracellular osmotic pressure by increasing soluble sugar concentrations. Soluble sugars could also be used as potential reactive oxygen species(ROS) scavengers, in concert with peroxidase(POD)enzymes, to eliminate ROS that accumulate during metabolic processes. Our study characterizes the synergistic response network of carbon metabolism and photosynthesis under salt stress.

关键词： Chinese cabbage Salt stress Carbon metabolism Photosynthesis Chloroplast

Molecular mechanism of flowering time regulation in Brassica rapa:similarities and differences with Arabidopsis

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Horticultural Plant Journal 2024年第3期10卷 615-628页

作者： Na Li Rui Yang Shuxing Shen Jianjun Zhao State Key Laboratory of North China Crop Improvement and Regulation Key Laboratory of Vegetable Germplasm Innovation and Utilization of HebeiCollaborative Innovation Center of Vegetable Industry in HebeiCollege of HorticultureHebei Agricultural UniversityBaodingHebei 071000China

Properly regulated flowering time is pivotal for successful plant reproduction.The floral transition from vegetative growth to reproductive growth is regulated by a complex gene regulatory network that integrates environmental signals and internal conditions to ensure that flowering takes place under favorable conditions.Brassica rapa is a diploid Cruciferae species that includes several varieties that are cultivated as vegetable or oil crops.Flowering time is one of the most important agricultural traits of B.rapa crops because of its influence on yield and quality.The transition to flowering in B.rapa is regulated by several environmental and developmental cues,which are perceived by several signaling pathways,including the vernalization pathway,the autonomous pathway,the circadian clock,the thermosensory pathway,and gibberellin(GA)signaling.These signals are integrated to control the expression of floral integrators BrFTs and BrSOC1s to regulate flowering.In this review,we summarized current research advances on the molecular mechanisms that govern flowering time regulation in B.rapa and compare this to what is known in Arabidopsis.

关键词： Flowering time Brassica rapa Vernalization Photoperiod