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Tubular membrane-contactor for n-decane photocatalytic oxidation
IF 4.7 2区 工程技术
Chemical Engineering Science Pub Date : 2025-01-07 DOI: 10.1016/j.ces.2025.121205
Sandra M. Miranda, Tânia F.C.V. Silva, Vítor J.P. Vilar
{"title":"Tubular membrane-contactor for n-decane photocatalytic oxidation","authors":"Sandra M. Miranda, Tânia F.C.V. Silva, Vítor J.P. Vilar","doi":"10.1016/j.ces.2025.121205","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121205","url":null,"abstract":"This study explores the application of a continuous tubular membrane-contactor for gas-phase photocatalytic oxidation of <em>n</em>-decane, operating under single-pass flow-through mode. The system features a TiO<sub>2</sub>-P25-coated porous membrane, concentrically inserted within a quartz sleeve, surrounded by four UVA lamps. A 10 nm pore-sized ceramic ultrafiltration membrane (CUM) and a 1000 nm pore-sized stainless-steel membrane (SSM) were tested with different TiO<sub>2</sub>-P25 loadings under inside-out and outside-in permeation. Outside-in permeation, where gas entered through the illuminated annulus and exited through the membrane lumen-side, yielded higher reaction rates due to enhanced <em>n</em>-decane/active catalyst contact. While both membranes achieved similar efficiencies, SSM required higher TiO<sub>2</sub>-P25 mass, given its larger pore size. Under optimal conditions, CUM with 200 mg TiO<sub>2</sub>-P25 reached a 0.37μmol min<sup>−1</sup> reaction rate and 97 %/84 % degradation/mineralization (15 ppm; 0.6 L min<sup>−1</sup>; 17 % relative humidity; 16.0 s residence time). The effect of feed flow rate, humidity, and <em>n</em>-decane concentration was also evaluated.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"35 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142935246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Intensified methane hydrate formation from active ice in wide temperate range
IF 4.7 2区 工程技术
Chemical Engineering Science Pub Date : 2025-01-07 DOI: 10.1016/j.ces.2025.121200
Juanjuan Li, Wenlong Zhao, Peng Xiao, Hui Zhang, Kang Liu, Meixia Qi, Boxu Yang, Guangjin Chen, Changyu Sun
{"title":"Intensified methane hydrate formation from active ice in wide temperate range","authors":"Juanjuan Li, Wenlong Zhao, Peng Xiao, Hui Zhang, Kang Liu, Meixia Qi, Boxu Yang, Guangjin Chen, Changyu Sun","doi":"10.1016/j.ces.2025.121200","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121200","url":null,"abstract":"The ice powder with unfrozen surfactant solution layer (active ice) is efficient in intensifying gas hydrate formation, however, only in a narrow temperature range. To broaden the temperature range, the effects of gas injection mode, gas pressure and temperature, and particle size on the hydrate formation in the active ice were investigated. The results suggested that continuous gas injection enhanced hydrate formation by producing more unfrozen solution layer at low temperatures; the hydrate formation rate and the gas uptake increased with the increase of gas pressure, while increased with the increase of gas temperature only at low ice temperatures; increasing the gas temperature is more effective in smaller ice particles. The suitable temperature range for fast hydrate formation in the active ice was broadened to 273.15 ∼ 266.15 K from 273.15 ∼ 271.65 K. This study improves the feasibility of hydrate-based gas storage or separation via the active ice.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"28 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142935314","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
CFD simulation, design and scale-up of a static layer melt crystallizer with an inner cooling tube
IF 4.7 2区 工程技术
Chemical Engineering Science Pub Date : 2025-01-07 DOI: 10.1016/j.ces.2025.121199
Li Yang, Biyu Zhang, Haoliang Wang, Dang Cheng, Jingcai Cheng, Chao Yang
{"title":"CFD simulation, design and scale-up of a static layer melt crystallizer with an inner cooling tube","authors":"Li Yang, Biyu Zhang, Haoliang Wang, Dang Cheng, Jingcai Cheng, Chao Yang","doi":"10.1016/j.ces.2025.121199","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121199","url":null,"abstract":"Static layer melt crystallization is an important separation and purification technique used in many fields, but it generally has a low growth rate of the crystal layer. This work aims to simulate the static layer melt crystallization process in a crystallizer with an inner cooling tube, and probe into the design and scale-up of the crystallizer from the perspective of production efficiency. Heat transfer by conduction and convection are coupled together with phase transition and fluid flow to establish a comprehensive model of static layer melt crystallization. CFD simulations were performed to analyze the influence of the size, structure and wall material of the crystallizer. The inner diameters of the crystallizer and the inner cooling tube should be designed to optimize the crystallization yield. The industrial-scale static layer crystallizer can be designed into multiple regions that are spaced in an optimized distance, and thinner polytetrafluoroethylene walls should be favored.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"5 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142935083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Detailed combustion mechanism for a six-component gasoline surrogate model
IF 4.7 2区 工程技术
Chemical Engineering Science Pub Date : 2025-01-07 DOI: 10.1016/j.ces.2025.121193
Pan Yang, Jun Shi, Hui Yan, Tan Yu
{"title":"Detailed combustion mechanism for a six-component gasoline surrogate model","authors":"Pan Yang, Jun Shi, Hui Yan, Tan Yu","doi":"10.1016/j.ces.2025.121193","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121193","url":null,"abstract":"An accurate gasoline surrogate model and reaction mechanism can better predict gasoline combustion in CFD simulations. This work selects methyl <em>tert</em>-butyl ether, diisobutylene, and cyclohexane to represent oxygen-containing substances, olefins, and cycloalkanes present in actual gasoline, respectively. A six-component gasoline surrogate model and combustion mechanism have been developed by combining these three components with toluene reference fuel. The linear-by-mole blending rule is employed to compute surrogate properties. Research results show that with mole percentages of 22.17 % <em>iso</em>-octane, 19.05 % n-heptane, 37.51 % toluene, 10.19 % methyl <em>tert</em>-butyl ether, 6.16 % diisobutylene, and 4.93 % cyclohexane, the physical and chemical properties of the surrogate model closely match those of actual gasoline. This includes RON, AKI, calorific value, the ratios of C/H/O elements, and the percentages of major substances. The surrogate model, combined with the new mechanism, accurately predicts ignition delay times and laminar burning velocities for actual gasoline across a wide range of temperatures and pressures.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"22 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142935247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Prediction of hydrodynamics in a liquid–solid fluidized bed using the densimetric Froude number-based drag model
IF 4.7 2区 工程技术
Chemical Engineering Science Pub Date : 2025-01-06 DOI: 10.1016/j.ces.2025.121201
Ruichao Tian, Xiankun Zheng, Shuyan Wang, Qigui Tan, Haoting Li, Jianlin Xie
{"title":"Prediction of hydrodynamics in a liquid–solid fluidized bed using the densimetric Froude number-based drag model","authors":"Ruichao Tian, Xiankun Zheng, Shuyan Wang, Qigui Tan, Haoting Li, Jianlin Xie","doi":"10.1016/j.ces.2025.121201","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121201","url":null,"abstract":"The degree of bed expansion in fluidized beds is influenced by the heterogeneous flow, which affects interphase momentum transfer, especially for particles with high density relative to the fluid, where gravity plays a significant role. To account for the effects of heterogeneity, a drag model is developed depending on the particle Reynolds number, the densimetric Froude number, and the ratio of solid to liquid density. The densimetric Froude number can evaluate the bed fluidization quality. The flow behavior of Geldart D particles in fluidized beds is simulated using the proposed densimetric Froude number-based drag model. This model demonstrates good agreement with the experimental data compared to the Gidaspow_blend, Koch_Hill, and Wen_Yu drag models. Additionally, the study concentrates on the non-uniformity induced by variations in liquid velocity and the transition from transitional to heterogeneous fluidization for the solid phase. A quantitative analysis is conducted on the flow patterns under different particle densimetric Froude numbers, as well as the relationship between interphase drag force, particle Reynolds number, and densimetric Froude number. As the liquid velocity increases, the number and size of liquid bubbles increase with the particle densimetric Froude number. At a densimetric Froude number of 0.411, the bed transitions from a transitional to a heterogeneous fluidization state. Moreover, as the liquid velocity increases, the interphase drag coefficient decreases with the increase of particle densimetric Froude number. The influence of solid volume fraction on drag force is greater than that of liquid–solid slip velocity, particle Reynolds number and densimetric Froude number.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"29 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142935248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Surface-bound radicals-dominated degradation of iopamidol by peroxymonosulfate activated with FeS: Mechanism and application
IF 4.7 2区 工程技术
Chemical Engineering Science Pub Date : 2025-01-06 DOI: 10.1016/j.ces.2025.121196
Ruijie Teng, Hong Wei, Jinfen Niu, Xia Ma
{"title":"Surface-bound radicals-dominated degradation of iopamidol by peroxymonosulfate activated with FeS: Mechanism and application","authors":"Ruijie Teng, Hong Wei, Jinfen Niu, Xia Ma","doi":"10.1016/j.ces.2025.121196","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121196","url":null,"abstract":"The activation of peroxymonosulfate (PMS) with FeS is a promising wastewater treatment technology. The degradation mechanism of iopamidol (IPM) in the PMS/FeS system and the effect of Cl<sup>−</sup> were examined. The results indicated that the surface-bound radicals (SO<sub>4</sub><sup>•−</sup><sub>ads</sub> and HO<sup>•</sup><sub>ads</sub>) generated on the FeS surface were identified as the primary reactive species contributing to IPM degradation. The surface and dissolved Fe(II), together with the Fe(II)/Fe(III) cycling facilitated by the surface sulfur on FeS, were all conducive to the activation PMS. When Cl<sup>−</sup> were in the range of 1 ∼ 5 mmol/L, the IPM degradation rate remained at almost 80 %. The generation of chlorinated products reduces ecotoxicity. The presence of Cl<sup>−</sup> mitigated the formation of iodoform, notwithstanding the impact on TOC removal. This study can provide a certain basis for the mechanism of FeS/PMS in degrading contaminants and its application for contaminant removal from chlorinated waters.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"38 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142929607","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nitrogen-enriched, hierarchical porous carbon anodes for high-rate and durable sodium storage
IF 4.7 2区 工程技术
Chemical Engineering Science Pub Date : 2025-01-06 DOI: 10.1016/j.ces.2025.121194
Jingxun Chen, Yashan Hu, Zijin Chen, Xiaolin Li, Jieqi Chen, Fengqiang Xie, Zhenghui Li
{"title":"Nitrogen-enriched, hierarchical porous carbon anodes for high-rate and durable sodium storage","authors":"Jingxun Chen, Yashan Hu, Zijin Chen, Xiaolin Li, Jieqi Chen, Fengqiang Xie, Zhenghui Li","doi":"10.1016/j.ces.2025.121194","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121194","url":null,"abstract":"Hard carbon materials, with their high theoretical capacity, sustainability, and structural stability, show significant potential in the sodium-ion battery. However, their poor rate performance and cycling stability limit their further development and commercialization. To address this issue, this study designs a hard carbon anode integrating nanosized morphology, well-developed porous structure, and N-rich carbon skeleton, by exploiting a crosslinking-induced phase separation strategy and employing polyaniline as a precursor. The increased specific surface area, hierarchical pore size distribution, and the presence of pyridinic N provide abundant active sites and defects, which significantly enhance the storage capacity of Na<sup>+</sup>. Additionally, the adsorption-dominated Na<sup>+</sup> storage mechanism endows the carbon anode with quick kinetics and outstanding stability. Based on the arguments presented above, the synthesized carbon anode demonstrates enhanced performance for sodium storage, characterized by a high reversible capacity of 331.9 mAh/g at 0.1 A/g, superior rate capability of 123.6 mAh/g at 20.0 A/g, and robust cycling stability, maintaining 258.8 mAh/g after 1000 cycles at 1.0 A/g.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"28 1 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142929798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structure design of photosensitive ionic liquid for CO2 capture
IF 4.7 2区 工程技术
Chemical Engineering Science Pub Date : 2025-01-05 DOI: 10.1016/j.ces.2025.121192
Ruinan Zhang, Yandong Guo, Bobo Cao, Yumiao Lu, Haifeng Dong, Feng Huo, Wei-Lu Ding
{"title":"Structure design of photosensitive ionic liquid for CO2 capture","authors":"Ruinan Zhang, Yandong Guo, Bobo Cao, Yumiao Lu, Haifeng Dong, Feng Huo, Wei-Lu Ding","doi":"10.1016/j.ces.2025.121192","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121192","url":null,"abstract":"Organic molecules containing azobenzene (azo) groups commonly undergo <em>cis</em>–<em>trans</em> isomerization upon light irradiation. It has been constructed azobenzene into the cation of ionic liquid (IL) for CO<sub>2</sub> capture. A series of the derivatives based on the reported photo-responsive IL (<em>trans</em>-azo-IL) have been further designed by modifying the <em>ortho</em>-, <em>meta</em>-, and <em>para</em>-site of azo group with different electron-donating and electron-withdrawing groups (–NH<sub>2</sub>, –OH, –OCH<sub>3</sub>, –CH<sub>3</sub>, –CN, –NO<sub>2</sub>). By investigating the matching of the frontier molecular orbital energy levels between ILs and CO<sub>2</sub>, the <em>trans</em>–<em>cis</em> isomerization energy, the binding energy between the cation and anion, the hydrogen bond interaction, the UV–visible absorption properties, and diffusion behavior by multiscale simulations, it found that –OH substituted on <em>ortho</em>-site of azo could further improve the performance of CO<sub>2</sub> capture compared to the original structure. The results provide a novel strategy for the screening and design of functional IL in CO<sub>2</sub> capture in the future.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"80 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142929797","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Modified impregnation combined with thermal treatment to boost Au-Ti catalytic hydro-oxidation of propylene
IF 4.7 2区 工程技术
Chemical Engineering Science Pub Date : 2025-01-04 DOI: 10.1016/j.ces.2025.121184
Zhihua Zhang, Kesheng Xu, Yueqiang Cao, Xuezhi Duan, Xinggui Zhou
{"title":"Modified impregnation combined with thermal treatment to boost Au-Ti catalytic hydro-oxidation of propylene","authors":"Zhihua Zhang, Kesheng Xu, Yueqiang Cao, Xuezhi Duan, Xinggui Zhou","doi":"10.1016/j.ces.2025.121184","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121184","url":null,"abstract":"Designing highly efficient Au-Ti bifunctional catalysts is pivotal to the hydro-oxidation of propylene to propylene oxide (PO). Herein, we report that the catalytic performance of Au/uncalcined TS-1 (i.e., TS-1-B) catalyst prepared via impregnation method using Na<sub>3</sub>Au(S<sub>2</sub>O<sub>3</sub>)<sub>2</sub> as precursor can be remarkably enhanced by tuning the properties of active sites through thermal treatment. Increasing thermal treatment temperature favors the decomposition of sulfur species adsorbed on the surface of Au nanoparticles and the TPA<sup>+</sup> templates adsorbed on the external surface of the catalyst, thereby exposing more Au and Ti sites, while the dispersion of Au particles and surface hydrophobicity are inferior at elevated thermal treatment temperature. Consequently, PO formation rate exhibits a volcano-shaped relationship with thermal treatment temperature. Importantly, the as-obtained 0.035 wt% Au/TS-1-B catalyst displays a hydrogen efficiency of up 62 % in addition to promising PO selectivity (95 %) and PO formation rate (155 g<sub>PO</sub>·h<sup>−1</sup>·kg<sub>cat</sub><sup>-1</sup>) with no significant decline over 140 h.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"97 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-01-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142924937","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Observation and kinetic modeling of carbon dioxide deposition under reduced pressures at cryogenic temperatures
IF 4.7 2区 工程技术
Chemical Engineering Science Pub Date : 2025-01-04 DOI: 10.1016/j.ces.2024.121177
Shengwen Xiao, Mikiro Hirayama, Hiroshi Machida, Koyo Norinaga
{"title":"Observation and kinetic modeling of carbon dioxide deposition under reduced pressures at cryogenic temperatures","authors":"Shengwen Xiao, Mikiro Hirayama, Hiroshi Machida, Koyo Norinaga","doi":"10.1016/j.ces.2024.121177","DOIUrl":"https://doi.org/10.1016/j.ces.2024.121177","url":null,"abstract":"Liquefied natural gas (LNG) is typically vaporized through heat exchange with seawater or other sources and used as city gas or power generation fuel, but its cold energy remains underutilized. This study proposes a new CO<sub>2</sub> capture process leveraging LNG’s cryogenic temperatures to create a vacuum environment, recovering CO<sub>2</sub> from amine-based solutions as dry ice. CO<sub>2</sub> deposition under cryogenic and vacuum conditions was observed, and a deposition rate model was developed. In the experiment, liquid nitrogen circulated through the tube side of a glass vertical single-tube shell-and-tube heat exchanger (230 mm long), while CO<sub>2</sub> was supplied to the shell side. CO<sub>2</sub> was deposited on the outer surface of a 5-mm diameter tube, with its growth rate measured by a laser displacement sensor. At 293 K and pressures of 140–1000 Pa, experimental results matched a rate model based on energy balance and mass transfer.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"369 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-01-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142924933","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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