Industrial & Engineering Chemistry Research最新文献

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Three Simple Stokeslet Trajectories
IF 4.2 3区 工程技术
Industrial & Engineering Chemistry Research Pub Date : 2025-04-03 DOI: 10.1021/acs.iecr.4c05014
Benjamin J. Landrum
{"title":"Three Simple Stokeslet Trajectories","authors":"Benjamin J. Landrum","doi":"10.1021/acs.iecr.4c05014","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c05014","url":null,"abstract":"Exact results for three trajectories of small numbers of particles interacting hydrodynamically through Stokeslets are presented. First, the middle particle in a vertical trio of particles sediments at a constant velocity for all time. Second, a horizontal pair of particles sedimenting toward a rigid wall undergoes a finite and surprisingly constant horizontal displacement in the limit of large initial separations. Third, a pair of particles sedimenting in a quadratic flow, such as that of a fluid pumped in the direction of gravity, oscillates in a periodic orbit and admits a Hamiltonian formulation.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"21 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Mixing of Immiscible Polymers in the Solid State
IF 4.2 3区 工程技术
Industrial & Engineering Chemistry Research Pub Date : 2025-04-03 DOI: 10.1021/acs.iecr.5c00328
Iurii Vozniak, Roman Kulagin, Victor Beloshenko, Ramin Hosseinnezhad, Artur Rozanski, Andrzej Galeski, Salim-Ramy Merouani, Bogdan Savchenko
{"title":"Mixing of Immiscible Polymers in the Solid State","authors":"Iurii Vozniak, Roman Kulagin, Victor Beloshenko, Ramin Hosseinnezhad, Artur Rozanski, Andrzej Galeski, Salim-Ramy Merouani, Bogdan Savchenko","doi":"10.1021/acs.iecr.5c00328","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00328","url":null,"abstract":"Traditionally, both miscible and immiscible polymers are mixed in solution and melt. In this work, the possibility of mixing immiscible polymers in the solid phase is studied on the example of three pairs of thermodynamically incompatible polymers─ABS/PET, PETG/PBT, PLA/PBT. It is shown that mixing in the solid phase is possible under the conditions of the combined effect of high pressure and shear deformation. High-pressure torsion (HPT) was chosen as the mixing technique. The values of critical accumulated shear strain, which allow the transition from immiscible to miscible blend, were determined. It was found that a higher torsion speed contributes to a faster transition and a higher pressure to a higher degree of convergence of the mixed phases. The homogeneous mixed structure formed is stable above its glass transition or melting temperature after short-term annealing.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"73 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Visible-Light-Induced Photocatalytic Degradation of Polyvinyl Chloride under Normal Temperature and Pressure via Uranyl Photocatalyst
IF 4.2 3区 工程技术
Industrial & Engineering Chemistry Research Pub Date : 2025-04-03 DOI: 10.1021/acs.iecr.4c04353
Song-Bai Tang, Shu-Yun Zhang, Yan-Xin Jiang, Zi-Xin Wang, Kai Li, Yin-Ying Luo, Bo Long, Jing Su
{"title":"Visible-Light-Induced Photocatalytic Degradation of Polyvinyl Chloride under Normal Temperature and Pressure via Uranyl Photocatalyst","authors":"Song-Bai Tang, Shu-Yun Zhang, Yan-Xin Jiang, Zi-Xin Wang, Kai Li, Yin-Ying Luo, Bo Long, Jing Su","doi":"10.1021/acs.iecr.4c04353","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04353","url":null,"abstract":"The degradation of polyvinyl chloride (PVC) has been commonly reported on thermal, thermocatalytic, and microbial degradation, with few reports on the aspect of photocatalysis. Herein, we propose a strategy that uses uranyl as a photocatalyst to realize effective PVC degradation under visible light and mild conditions. The degree of dechlorination reaches 40%, and the molecular weight (<i>Mw</i>) decreases from 219.3 kg/mol to 3.7 kg/mol. Multiple experimental analyses and density functional theory calculations were conducted to elucidate the degradation pathways. The results show that uranyl serves not only as a promoter of hydrogen atom transfer but also as an inducer of dechlorination, both of which contribute to the PVC degradation. This mild, simple, and effective strategy for the photocatalytic degradation of PVC offers new insights into plastic treatment and can be further investigated for other potential applications such as halogenation.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"224 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Effect of Centrifugal Force on the Disturbance Wave Characteristics of Decay Swirl Liquid Film
IF 4.2 3区 工程技术
Industrial & Engineering Chemistry Research Pub Date : 2025-04-02 DOI: 10.1021/acs.iecr.4c04684
Jie Zeng, Yifei Wang, Dawei Feng, Qian Liu, Yan Gong, Guangsuo Yu, Fuchen Wang
{"title":"Effect of Centrifugal Force on the Disturbance Wave Characteristics of Decay Swirl Liquid Film","authors":"Jie Zeng, Yifei Wang, Dawei Feng, Qian Liu, Yan Gong, Guangsuo Yu, Fuchen Wang","doi":"10.1021/acs.iecr.4c04684","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04684","url":null,"abstract":"The liquid film interfacial wave characteristics of vertical and swirling flow are experimentally investigated with the ultrasonic Doppler velocimetry and a high-speed camera under a liquid-phase Reynolds number (<i>Re</i><sub>l</sub>) of 5.88 × 10<sup>3</sup>–1.23 × 10<sup>4</sup>, and a correlation for the disturbance wave frequency of swirling flow was developed based on the centrifugal-gravity ratio. The interfacial waves of swirling flow have no apparent periodicity and correlation, similar to the vertical flow. In swirling flow, centrifugal force promotes the accumulation of liquid film mass, reflected in the increase of the substrate liquid film. The circumferential velocity of the swirling flow increases the wall friction stress, reducing the disturbance wave velocity. The superposition of swirling streaks promotes the formation of disturbance waves. Still, the increasing centrifugal force forces the disturbance waves to transfer mass and energy to the ripples, suppressing the formation of disturbance waves. The established correlation for the disturbance wave frequency has a good prediction effect with a mean absolute percentage error of 19.89%.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"8 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Buckling of Spray Drying Drops
IF 4.2 3区 工程技术
Industrial & Engineering Chemistry Research Pub Date : 2025-04-02 DOI: 10.1021/acs.iecr.4c04850
Om Prakash Bamboriya, Mahesh S. Tirumkudulu, Subramanian Ramakrishnan
{"title":"Buckling of Spray Drying Drops","authors":"Om Prakash Bamboriya, Mahesh S. Tirumkudulu, Subramanian Ramakrishnan","doi":"10.1021/acs.iecr.4c04850","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04850","url":null,"abstract":"An understanding of the morphological transformations of drying, particle-laden drops, is important for industrial processes such as spray drying, where drops of particulate suspensions dry rapidly to produce granules. The high drying rates during spray drying produce particle-packed shells saturated with liquid, which may buckle, transforming spherical shells into crumpled granules. The morphology of granules depends on the particle’s mechanical properties and size, interparticle interaction, and drying rates. A recent theory has shown that the morphological transformations are controlled by a dimensionless parameter that measures the competition between the compressive stress generated by capillary forces and the elastic strength of the packing. In this work, we perform experiments on a spray dryer with suspensions containing particles of varying sizes and moduli to test the theoretical predictions. We show remarkable agreement with the theory over many orders of magnitude of the dimensionless parameter. The results provide a fundamental understanding of the morphological changes observed in fast-drying drops containing particles and enable the design of buckle-free granules with desired properties.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"58 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Development of Convolutional Neural Network-Based Models for Efficient and Reliable Flashpoint Prediction
IF 4.2 3区 工程技术
Industrial & Engineering Chemistry Research Pub Date : 2025-04-02 DOI: 10.1021/acs.iecr.4c04373
Jiaxing Zhu, Lin Hao, Hao Zhang, Hongyuan Wei
{"title":"Development of Convolutional Neural Network-Based Models for Efficient and Reliable Flashpoint Prediction","authors":"Jiaxing Zhu, Lin Hao, Hao Zhang, Hongyuan Wei","doi":"10.1021/acs.iecr.4c04373","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04373","url":null,"abstract":"The initial step in quantitative structure–property relationship (QSPR) modeling typically involves selecting relevant descriptors for predicting flammability characteristics. However, traditional selection methods face challenges and inefficiencies when dealing with large pools of molecular descriptors. To address these issues, this study proposes a convolutional neural network (CNN)-based method to automatically identify relevant descriptors, eliminating the need for preselection. This method is applied to predict the flashpoints of pure compounds and mixtures using two different sets of molecular descriptors. Bayesian Optimization is employed to tune the hyperparameters of the CNN models through 5-fold cross-validation. The results demonstrate that the developed CNN models achieve high accuracy, with <i>R</i><sup>2</sup> values of 0.9723 for pure compounds and 0.9939/0.9951 for mixtures in the test data set, outperforming previously established models. Notably, the CNN models maintain high accuracy even when the number of valid molecular descriptors is increased from 125 to 861. Overall, the proposed approach leads to robust performance and accelerates QSPR model development through automated molecular descriptor selection.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"663 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Low-Cost and High-Performance Sulfonated Polyimide Membrane for Vanadium Redox Flow Battery Application
IF 4.2 3区 工程技术
Industrial & Engineering Chemistry Research Pub Date : 2025-04-02 DOI: 10.1021/acs.iecr.4c04819
Gang Wang, Shuwen Zhang, Ye Zhu, Xuesong Li, Shiguo Wei, Bing Wang, Yangtian Jing, Changjiang Zuo, Jijun Chen, Jie Zhang, Yufeng Zhou, Jinwei Chen, Ruilin Wang
{"title":"Low-Cost and High-Performance Sulfonated Polyimide Membrane for Vanadium Redox Flow Battery Application","authors":"Gang Wang, Shuwen Zhang, Ye Zhu, Xuesong Li, Shiguo Wei, Bing Wang, Yangtian Jing, Changjiang Zuo, Jijun Chen, Jie Zhang, Yufeng Zhou, Jinwei Chen, Ruilin Wang","doi":"10.1021/acs.iecr.4c04819","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04819","url":null,"abstract":"A novel sulfonated polyimide (SPI-PTDA) is synthesized by introducing low-cost and rigid perylene-3,4,9,10-tetracarboxylic dianhydride (PTDA) into the SPI backbone. A sequence of SPI-PTDA-X membranes with different sulfonation levels has been prepared and characterized. The stable retention time of the SPI-PTDA-75 membrane in aqueous solution at 80 °C is greater than 240 h; its tensile strength (25.83 MPa) is three times that of N212, and the results of the theoretical calculations of molecular ESP indicate the existence of certain interactions within the SPI-PTDA molecule, being responsible for the enhanced mechanical strength of the SPI-PTDA membrane. Additionally, the vanadium ion selectivity of the SPI-PTDA-75 membrane is approximately double that of the N212. The VRFB with the SPI-PTDA-75 membrane demonstrates a Coulombic efficiency (CE) of 97.59% and an energy efficiency (EE) of 80.47% at 120 mA cm<sup>–2</sup>. The results of 400 charge–discharge cycling tests reveal that the SPI-PTDA-75 membrane maintains strong long-term cycling stability.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"183 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Electrochemical Degradation of PET Microplastics and Its Mechanism
IF 4.2 3区 工程技术
Industrial & Engineering Chemistry Research Pub Date : 2025-04-02 DOI: 10.1021/acs.iecr.5c00311
Ran Chen, Ziyu Zhang, Yining Deng, Jinyan Wang, Yuchun Cui, Yuzeng Zhao, Honghua Ge
{"title":"Electrochemical Degradation of PET Microplastics and Its Mechanism","authors":"Ran Chen, Ziyu Zhang, Yining Deng, Jinyan Wang, Yuchun Cui, Yuzeng Zhao, Honghua Ge","doi":"10.1021/acs.iecr.5c00311","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00311","url":null,"abstract":"Polyethylene terephthalate (PET) is a common packaging plastic that degrades extremely slowly in the environment, with low efficiency in both photodegradation and biodegradation. This study investigates the electrochemical degradation of PET MPs. First, the electrochemical degradation process of PET MPs in aquatic environments was examined. Under the condition of no additional catalyst, the degradation efficiency was measured using a weight loss method, and more efficient electrolysis efficiency was obtained through orthogonal experiment. After 6 h of electrolysis, the weight loss was as high as 68%. The analysis shows that electrolysis temperature is a more critical factor than current density, pH, and surfactant concentration. Second, by studying the changes of soluble organic pollutants in PET MPs and electrolyte with time and temperature during the reaction process, indicating that the increased crystallinity of PET MPs limits the enhancement of degradation efficiency. Furthermore, it was pointed out that the oxidation–reduction reaction of the electrode reaction was enhanced by the surfactant. Combined with the active species analysis, hydroxyl radicals (<sup>•</sup>OH) and sulfate radicals (SO<sub>4</sub><sup>•–</sup>) play a role in the degradation of PET MPs. The mechanism of electrochemical degradation of PET MPs was hypothesize. The electrochemical degradation method used in this study is characterized by a short treatment time and high efficiency, providing a feasible solution for improving microplastic degradation efficiency, and also provides an effective reference for electrochemical degradation of insoluble pollutants in water.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"61 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Correction to “Study of a Novel W–Si Passivation Process for Lithium Copper Foils: Rational Utilization of the Polyhydroxy Structure Based on Sodium Gluconate”
IF 4.2 3区 工程技术
Industrial & Engineering Chemistry Research Pub Date : 2025-04-02 DOI: 10.1021/acs.iecr.5c01037
Yong Liu, Lingjie Wang, Xin Ma, Shuai Wang, Hong Zhong, Zhanfang Cao, Liqing Li
{"title":"Correction to “Study of a Novel W–Si Passivation Process for Lithium Copper Foils: Rational Utilization of the Polyhydroxy Structure Based on Sodium Gluconate”","authors":"Yong Liu, Lingjie Wang, Xin Ma, Shuai Wang, Hong Zhong, Zhanfang Cao, Liqing Li","doi":"10.1021/acs.iecr.5c01037","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01037","url":null,"abstract":"In our original article, due to a manuscript error, Figure 2c (Na<sub>2</sub>WO<sub>4</sub>) is the same as Figure 2e (sodium gluconate). The correct figure is shown here. This correction does not change the conclusion of the article. Figure 2. Tafel polarization curves and SEM images of different passivated samples: (a) Tafel polarization curves, (b) bare Cu, (c) Na<sub>2</sub>WO<sub>4</sub>, (d) JH-M902, (e) sodium gluconate, and (f) W–Si passivated sample. This article has not yet been cited by other publications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"33 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Forward Osmosis Desalination Using Thermoresponsive Ionic Liquids: Bench-Scale Demonstration and Cost Analysis
IF 4.2 3区 工程技术
Industrial & Engineering Chemistry Research Pub Date : 2025-04-01 DOI: 10.1021/acs.iecr.4c03784
Andrew Z. Haddad, Akanksha K. Menon, Ravindra Revanur, Jennifer Klare, Jeffrey J. Urban, Robert Kostecki
{"title":"Forward Osmosis Desalination Using Thermoresponsive Ionic Liquids: Bench-Scale Demonstration and Cost Analysis","authors":"Andrew Z. Haddad, Akanksha K. Menon, Ravindra Revanur, Jennifer Klare, Jeffrey J. Urban, Robert Kostecki","doi":"10.1021/acs.iecr.4c03784","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03784","url":null,"abstract":"Forward osmosis (FO) desalination using thermoresponsive ionic liquid (IL)–water mixtures is a promising technology for treating nontraditional water sources. However, its demonstration has primarily been at the lab-scale, with water flux and recovery values that are not representative of realistic applications. In this work, the performance of tetrabutyl-phosphonium trifluoroacetate (P<sub>4444</sub>TFA), as well as a new dual draw of P<sub>4444</sub>TFA with tetrabutyl-ammonium trifluoroacetate (N<sub>4444</sub>TFA) is characterized. The dual draw combines the higher osmolality of one IL with the lower critical solution temperature (LCST) of the second IL to outperform its constituents at the same total concentration of IL in water (70 wt %). Experiments were first performed in a lab-scale coupon tester to understand the effects of draw osmotic pressure and viscosity on water flux through the membrane. Bench-scale experiments were then performed in an element tester with a 1 m<sup>2</sup> membrane area to evaluate the performance of IL-based FO for the desalination of produced water feed from oil and gas. Specifically, 10 kg of IL-water draw solution was used with 3 kg of real produced water feed, resulting in water recoveries of 60% with initial and final water fluxes of 14 LMH and 3 LMH, respectively. The bench-scale experimental results were used as inputs for a cost analysis, yielding a levelized cost of water (LCOW) of $1.18 per m<sup>3</sup>. This reveals the potential of IL-based draw solutions for cost-effective desalination of challenging feedwaters using FO.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"24 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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