Chemical Engineering Science最新文献

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A data-driven coarse-grid drag model for gas–solid flows incorporating mesoscale structural information 包含中尺度结构信息的气固流动数据驱动的粗网格阻力模型
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-24 DOI: 10.1016/j.ces.2026.123445
Yulong Xie, Bingzhen Zhang, Wenyuan Fan, Feifei Song
{"title":"A data-driven coarse-grid drag model for gas–solid flows incorporating mesoscale structural information","authors":"Yulong Xie,&nbsp;Bingzhen Zhang,&nbsp;Wenyuan Fan,&nbsp;Feifei Song","doi":"10.1016/j.ces.2026.123445","DOIUrl":"10.1016/j.ces.2026.123445","url":null,"abstract":"<div><div>A quantitative description of particle concentration distribution is essential, as it authentically represents mesoscale structures and plays a key role in gas–solid flows. In this work, a data-driven coarse-grid (DDCG) drag model for gas–solid flows is constructed by combining global features obtained from the particle concentration distribution through convolutional neural network (CNN) and local features selected by SHAP analysis. Based on simulation results from a small-scale periodic domain, the model was trained and subsequently applied (without any retraining) to the coarse-grid simulation of a Horio riser. The results achieved accuracy comparable to that of a homogeneous drag model on fine grids, demonstrating the strong generalizability of the proposed approach. Subsequently, a preliminary exploratory analysis of the model’s interpretability and underlying mechanism was conducted. These findings indicate that the DDCG model represents a promising method for the coarse‑grid simulation of gas–solid flow systems.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123445"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146043130","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
Reactivity influence on carbonaceous particle layer break-up and relocation events in O2-based model filter regeneration 反应性对基于o2的模型过滤器再生中碳质颗粒层破裂和重新定位事件的影响
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-29 DOI: 10.1016/j.ces.2026.123467
Ole Desens , Özge Yavuz , Fabian P. Hagen , Jörg Meyer , Achim Dittler
{"title":"Reactivity influence on carbonaceous particle layer break-up and relocation events in O2-based model filter regeneration","authors":"Ole Desens ,&nbsp;Özge Yavuz ,&nbsp;Fabian P. Hagen ,&nbsp;Jörg Meyer ,&nbsp;Achim Dittler","doi":"10.1016/j.ces.2026.123467","DOIUrl":"10.1016/j.ces.2026.123467","url":null,"abstract":"<div><div>Understanding the influence of soot reactivity on layer break-up and particle structure detachment and transport during diesel particulate filter regeneration is essential for optimizing aftertreatment performance. Seven carbon blacks with differing reactivity were investigated as reactive particle model systems. The oxidation behavior was characterized by temperature-programmed oxidation, revealing a wide reactivity range, with the peak oxidation temperature spanning from 817 K for a propane-soot reference to 894-976 K for the carbon blacks. This paper examines the regeneration of a model filter channel in situ with high temporal and spatial resolution. The filter is loaded with 10 mg carbon black particles and then regenerated. The regeneration of the filter is analyzed by varying the particle system under constant regeneration conditions at a gas temperature of 823 K and a channel inlet gas velocity of 60 m/s. In addition, the layer height and temperature are varied for a selected carbon black, and a more reactive hydrocarbon mixture was added to the particle layer of the selected carbon black. In selected experiments high-speed imaging of the model filter channel enabled direct observation of layer break-up and particles detaching from the filters surface. Image-based analysis enables the quantification of the black surface area reduction and isolated particle structures. All carbon blacks showed a reaction of the carbonaceous particles, with little layer break-up and formation of isolated structures, as well as minimal detachment events (0-10 events per experiment). Introducing more reactive hydrocarbons to the particle layer markedly increased fragmentation and particle relocations to more than 500 events.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123467"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146089335","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
Accelerated and broadband electrochemical impedance spectroscopy of lithium-ion batteries using segmented chirp signals 基于分段啁啾信号的锂离子电池加速和宽带电化学阻抗谱
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-27 DOI: 10.1016/j.ces.2026.123440
Rigved Samant , Resmi Suresh , Omkar S. Deshmukh , Raghunathan Rengaswamy
{"title":"Accelerated and broadband electrochemical impedance spectroscopy of lithium-ion batteries using segmented chirp signals","authors":"Rigved Samant ,&nbsp;Resmi Suresh ,&nbsp;Omkar S. Deshmukh ,&nbsp;Raghunathan Rengaswamy","doi":"10.1016/j.ces.2026.123440","DOIUrl":"10.1016/j.ces.2026.123440","url":null,"abstract":"<div><div>Accelerated Electrochemical Impedance Spectroscopy (EIS) is essential for monitoring electrochemical systems. The amplitude envelope-based single-chirp EIS method shows limitations when constructing impedance spectra over a broad frequency range of <span><math><mrow><mo>(</mo><msup><mn>10</mn><mrow><mo>−</mo><mn>3</mn></mrow></msup><mo>−</mo><msup><mn>10</mn><mn>4</mn></msup><mo>)</mo></mrow></math></span> Hz, particularly in the low-frequency region below 0.1 Hz. This work proposes a segmented-chirp method that divides the spectrum into three segments, each excited by a distinct chirp signal. The approach is validated on a nonlinear electrochemical reaction mechanisms and nonlinear Doyle-Fuller-Newman (DFN) model of Li-ion battery (LIB). Benchmarking against conventional single-sine EIS shows that the segmented method reduces measurement time by 81-98% over <span><math><mrow><mo>(</mo><msup><mn>10</mn><mrow><mo>−</mo><mn>3</mn></mrow></msup><mo>−</mo><msup><mn>10</mn><mn>4</mn></msup><mo>)</mo></mrow></math></span> Hz with 4-0.1% error for nonlinear reaction mechanisms. For DFN model, the method achieves a fivefold reduction in time with  &lt; 8% error over <span><math><mrow><mo>(</mo><msup><mn>10</mn><mrow><mo>−</mo><mn>2</mn></mrow></msup><mo>−</mo><msup><mn>10</mn><mn>4</mn></msup><mo>)</mo></mrow></math></span> Hz and  &lt; 2.5% error <span><math><mrow><mo>(</mo><msup><mn>10</mn><mrow><mo>−</mo><mn>3</mn></mrow></msup><mo>−</mo><msup><mn>10</mn><mn>4</mn></msup><mo>)</mo></mrow></math></span> Hz. Moreover, impedance spectra obtained for DFN model is fitted to Equivalent Circuit Model (ECM). The ECM fitted to the spectra from both techniques exhibited nearly identical NRSS, <em>R</em><sup>2</sup>, and RMSE ( &lt; 3.5%) in all cases. This confirms that segmented-chirp EIS provides linear model estimates (ECM parameters) with the same fidelity as conventional EIS while requiring only a fraction of the computation time.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123440"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146089336","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
Do double duty: superior conductive metalloid electrocatalyst for high-rate lithium-selenium batteries 双重责任:高倍率锂硒电池的导电金属样电催化剂
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-20 DOI: 10.1016/j.ces.2026.123381
Lan Yang , Jiehong Zhang , Wei Liao , Guangyu Chen , Dandan Yang , Xiaowen Yu , Xinglan Huang , Yuanyuan Li , Xuebu Hu
{"title":"Do double duty: superior conductive metalloid electrocatalyst for high-rate lithium-selenium batteries","authors":"Lan Yang ,&nbsp;Jiehong Zhang ,&nbsp;Wei Liao ,&nbsp;Guangyu Chen ,&nbsp;Dandan Yang ,&nbsp;Xiaowen Yu ,&nbsp;Xinglan Huang ,&nbsp;Yuanyuan Li ,&nbsp;Xuebu Hu","doi":"10.1016/j.ces.2026.123381","DOIUrl":"10.1016/j.ces.2026.123381","url":null,"abstract":"<div><div>Selenium cathodes have gained significant attention due to their higher electrical conductivity and volume specific capacity compared to sulfur cathodes. However, slow conversion reaction kinetics caused by low conductive polyselenides and inescapable shuttle effect lead to poor high-rate capability and cycling performance of lithium-selenium batteries. To surmount these challenges, a high conductive matrix with double duty that metalloid CoTe<sub>2</sub> grown in situ on carbon nanofibers (CoTe<sub>2</sub>@CNF) has been proposed and prepared. On the one hand, the electronic and ionic conductivities of free-standing selenium electrodes are effectively enhanced because of high electronic conductive CoTe<sub>2</sub>. On the other hand, rapid conversion of polyselenides is achieved because of the high catalytic activity of CoTe<sub>2</sub>. Density Functional Theory calculations also prove that CoTe<sub>2</sub> is beneficial for catalytic conversion of polyselenides. Consequently, the Se/CoTe<sub>2</sub>@CNF free-standing electrode achieve an impressive initial discharge capacity of 609.5mAh g<sup>−1</sup> at 0.5C. Even at 5C, after 1000 cycles, they also maintain a capacity of 298.9mAh g<sup>−1</sup> and the attenuation per cycle is less than 0.038 %. This work provides a good approach for preparing high-rate lithium-selenium batteries via superior conductive catalysts to suppress the shuttle effect and accelerate the conversion of polyselenides.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123381"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036699","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
Study of the novel dehydrogenation composite inhibitor and the inhibition mechanism on coal spontaneous combustion 新型脱氢复合抑制剂及其对煤自燃的抑制机理研究
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-23 DOI: 10.1016/j.ces.2026.123416
Quanlin Shi , Qingjie Zhang , Lihua Long , Xian Xi
{"title":"Study of the novel dehydrogenation composite inhibitor and the inhibition mechanism on coal spontaneous combustion","authors":"Quanlin Shi ,&nbsp;Qingjie Zhang ,&nbsp;Lihua Long ,&nbsp;Xian Xi","doi":"10.1016/j.ces.2026.123416","DOIUrl":"10.1016/j.ces.2026.123416","url":null,"abstract":"<div><div>Radical chain reactions are the critical pathways underlying coal spontaneous combustion, and the development of efficient inhibitors capable of interrupting these reactions is essential for ensuring the safe extraction of coal. The novel synergistic composite inhibitor consists of 2,6-di-<em>tert</em>-butyl-4-methylphenol (BHT) and <em>tert</em>-butylhydroquinone (TBHQ) as the main components. Its inhibitory characteristics and microscopic mechanisms against coal spontaneous combustion were systematically investigated by programmed temperature rise tests, thermogravimetric-differential scanning calorimetry, Fourier-transform infrared spectroscopy, and quantum chemical calculations. The results demonstrated that the BHT/TBHQ composite inhibitor exhibited remarkable suppression of oxidation at the low-temperature stage, achieving an inhibition rate of 68.3 % at 70 °C, while maintaining stable performance throughout the entire heating process. In addition, the composite inhibitor retarded the coal oxidation and heating process, significantly increasing the characteristic temperatures. The critical temperature, pyrolysis onset temperature, and ignition temperature were delayed by 4.8 °C, 8.0 °C, and 6.3 °C, respectively. Mechanistic analysis revealed that both BHT and TBHQ terminate radical chain reactions by donating hydrogen atoms via hydroxyl groups, thereby effectively interrupting the low-temperature oxidation of coal. Quantum chemical calculations further confirmed that both inhibitors efficiently capture R-CH(CH<sub>3</sub>)<sub>2</sub>, R-OH, R-CHO, and R-CH<sub>2</sub>OOH radicals, resulting in the formation of stable molecular structures. This study provides a theoretical basis for designing novel and efficient inhibitors through quantum chemical approaches.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123416"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034201","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
Kinetic insights into process optimization of peracetic acid oxidative degradation of cured epoxy resins 过氧乙酸氧化降解固化环氧树脂工艺优化动力学研究
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-26 DOI: 10.1016/j.ces.2026.123453
Xiao-Sa Liu , Qi Zeng , Zi-Bin Huang , Zhan-Quan Zhang , Pei-Qing Yuan
{"title":"Kinetic insights into process optimization of peracetic acid oxidative degradation of cured epoxy resins","authors":"Xiao-Sa Liu ,&nbsp;Qi Zeng ,&nbsp;Zi-Bin Huang ,&nbsp;Zhan-Quan Zhang ,&nbsp;Pei-Qing Yuan","doi":"10.1016/j.ces.2026.123453","DOIUrl":"10.1016/j.ces.2026.123453","url":null,"abstract":"<div><div>To address the challenge of green recycling of carbon-fiber-reinforced polymer composites (CFRPs) imposed by highly crosslinked epoxy matrices, this study investigates peracetic-acid (PAA) oxidative degradation of a cured epoxy resin (cEP) based on diglycidyl ether of bisphenol A cured with 4,4′-diaminodiphenylmethane. Under representative conditions, PAA removes 99.8% of the epoxy matrix from CFRP laminates while retaining about 95% of the original single-filament tensile strength. To elucidate the controlling mechanisms and enable process optimization, a factorial evaluation of stirring speed, solid–liquid ratio, and temperature was performed using cEP particles as a model system. Guided by the experimentally observed “swollen reactive shell–unreacted core” morphology, a coupled swelling–intraparticle diffusion–chemical reaction–oxidant self-decay kinetic model was developed to quantitatively predict both cEP degradation and the time evolution of liquid-phase PAA concentration. Parameter estimation yields an apparent activation energy of 148.92 kJ·mol<sup>−1</sup> for PAA-driven cEP oxidation. Although increasing temperature accelerates degradation, it also intensifies oxidant self-decay and non-productive oxidation of liquid-phase intermediates. Model-guided operation shows that stepwise PAA feeding can suppress non-target consumption and improve terminal conversion. At 353 K, using only 1.025 times the theoretical PAA requirement, stepwise feeding raises the resin degradation degree from 0.93 (single-shot) to 0.99 within 3 h, thereby minimizing oxidant cost. The demonstrated laminate-scale feasibility, together with the particle-scale kinetic framework, provides a quantitative basis for designing PAA-based CFRP recycling processes that balance resin removal, fiber integrity, and oxidant efficiency.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123453"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075564","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
Microwave drying characteristics of high-moisture tobacco based on a multi-physics model 基于多物理场模型的高水分烟草微波干燥特性
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-19 DOI: 10.1016/j.ces.2026.123396
Xinming Fu , Yadong Zhang , Luoyi Liu , Xiang Li , Huarong Zhang , Hongbin Wang , Yang Lei , Chuanhao Wei
{"title":"Microwave drying characteristics of high-moisture tobacco based on a multi-physics model","authors":"Xinming Fu ,&nbsp;Yadong Zhang ,&nbsp;Luoyi Liu ,&nbsp;Xiang Li ,&nbsp;Huarong Zhang ,&nbsp;Hongbin Wang ,&nbsp;Yang Lei ,&nbsp;Chuanhao Wei","doi":"10.1016/j.ces.2026.123396","DOIUrl":"10.1016/j.ces.2026.123396","url":null,"abstract":"<div><div>Microwave drying has emerged as a promising approach for processing high-moisture tobacco, and a considerable body of work has focused on experimental investigations. Nevertheless, numerical simulations in this field remain relatively scarce, and the underlying mechanisms of microwave-induced heat and mass transfer in tobacco are still not fully clarified. a multiphase porous medium model was established, integrating electromagnetic, thermal, and mass transport phenomena, to analyze the microwave drying behavior of high-moisture tobacco. The results reveal a non-linear heating pattern characterized by an initial rapid increase, a subsequent slowdown, and a secondary acceleration, accompanied by the formation of hot and cold spots due to non-uniform microwave field distribution. Moisture migration was found to occur through different pathways: evaporation-driven transfer in hot regions, and combined secondary evaporation and capillary diffusion in colder regions. Although rotary microwave heating does not enhance the intrinsic efficiency of microwave energy utilization, it contributes to more uniform energy distribution, lowers peak temperatures, and improves thermal homogeneity. Consequently, rotary drying not only accelerates the overall drying process but also reduces energy consumption by approximately one-third, demonstrating its potential for efficient and sustainable tobacco processing.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123396"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146005605","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
Atom-by-atom size-evolution of Ag13-Ag15 nanoclusters: structure and catalytic CO2 conversion Ag13-Ag15纳米团簇的原子尺度演化:结构和催化CO2转化
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-12 DOI: 10.1016/j.ces.2026.123361
Ling Chen , Xiangyu Ma , Tingting Wang , Qingliang Li , Ruru Qian , Mengting Cui , Haizhu Yu , Manzhou Zhu
{"title":"Atom-by-atom size-evolution of Ag13-Ag15 nanoclusters: structure and catalytic CO2 conversion","authors":"Ling Chen ,&nbsp;Xiangyu Ma ,&nbsp;Tingting Wang ,&nbsp;Qingliang Li ,&nbsp;Ruru Qian ,&nbsp;Mengting Cui ,&nbsp;Haizhu Yu ,&nbsp;Manzhou Zhu","doi":"10.1016/j.ces.2026.123361","DOIUrl":"10.1016/j.ces.2026.123361","url":null,"abstract":"<div><div>The atomic precision of metal nanoclusters reveals their size-dependent physicochemical properties and highlights the challenges in achieving controllable synthesis at the single-atom level. Herein, we report a series of silver clusters adopting an atom-by-atom evolution pattern, including Ag<sub>13</sub>(SR<sup>1</sup>)<sub>12</sub>(DPPP)<sub>3</sub>, Ag<sub>14</sub>(SR<sup>1</sup>)<sub>12</sub>(DPPF)<sub>3</sub>, and Ag<sub>15</sub>(SR<sup>1</sup>)<sub>12</sub>(DPPB)<sub>3</sub> (Ag<sub>13</sub>-Ag<sub>15</sub>, HSR<sup>1</sup> and DPPP/DPPF/DPPB denote 3,5-bis(trifluoromethyl)thiophenol, and 1,3-bis(diphenylphosphino)propane/ferrocene/butane). Each of these three clusters comprises a shell structure with three groups of Ag<sub>2</sub>(SR<sup>1</sup>)<sub>4</sub>(DPPX) (X=P/F/B) blocks, while the metallic core corresponds to singly, linearly, and triangularly capped distorted octahedral Ag<sub>6</sub> structures. So far, Ag<sub>13</sub> represents the first 1e metal cluster. The kinetic monitoring and the molecular dynamic (MD) simulations demonstrate the nucleation driven by ligand flexibility. The structural peculiarities of the nanoclusters (which are loaded on activated carbon) govern their divergent catalytic behaviors in epoxide carboxylation reactions. The DPPF stabilized Ag<sub>14</sub> cluster exhibits high activity (98 % yield in 20 h at 75°C, and well maintained after 5 cycles), outperforming Ag<sub>13</sub> (56 %) and Ag<sub>15</sub> (65 %) under otherwise identical conditions. The DFT results show that CO<sub>2</sub> could be significantly stabilized by parallel benzene rings around AgS<sub>2</sub> in Ag<sub>14</sub>, forming π-CO<sub>2</sub>-π structures. This study establishes a dual structure–activity relationship: ligand flexibility regulates the nucleation process during synthesis, whereas the resultant surface defects induced by rigid ligands determine catalytic performance.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123361"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036698","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
An evaluation of a dielectric barrier discharge plasma/VUV/peroxymonosulfate system for mixed antibiotics removal from secondary swine wastewater effluent 介质阻挡放电等离子体/VUV/过氧单硫酸盐系统去除猪二级废水中混合抗生素的研究
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-21 DOI: 10.1016/j.ces.2026.123414
Jing Lou , Haizhu Chen , Jiutao An , Xiangyou Wang
{"title":"An evaluation of a dielectric barrier discharge plasma/VUV/peroxymonosulfate system for mixed antibiotics removal from secondary swine wastewater effluent","authors":"Jing Lou ,&nbsp;Haizhu Chen ,&nbsp;Jiutao An ,&nbsp;Xiangyou Wang","doi":"10.1016/j.ces.2026.123414","DOIUrl":"10.1016/j.ces.2026.123414","url":null,"abstract":"<div><div>Aiming at the coexistence of multiple antibiotics in swine wastewater, an advanced dielectric barrier discharge plasma/VUV/peroxymonosulfate (DBD/VUV/PMS) process was employed to simultaneously target mixed antibiotics, including oxytetracycline (OTC), levofloxacin (LEV), and sulfadiazine (SDZ). The degradation efficiency of mixed antibiotics (88.2 % – 98.7 %) in actual swine tailwater was slightly inferior to that of single antibiotics (&gt;98.5 %), due to the severe competition for the limited active species within the system. The contribution of reactive oxygen species, including O<sub>3</sub>, O<sub>2</sub><sup>·</sup><sup>–</sup>, <sup>1</sup>O<sub>2</sub>, HO<sup>·</sup>, and SO<sub>4</sub><sup>·</sup><sup>–</sup>, to antibiotics elimination was distinguished, with OTC being the most vulnerable to these species. Notably, non-radical pathways dominated the degrading process, while the utilization efficiency of reactive species was enhanced throughout the process. The system achieved a simultaneous reduction of 53.4 % in UV<sub>254</sub>, 45.2 % in nitrite levels, 48.5 % in COD, and 26.2 % in TOC. Toxicity assessments confirmed that degradation products were largely ecologically benign, demonstrating the system’s environmental compatibility. Energy consumption and treatment cost were assessed at 5.83 kWh m−3 and $ 0.58 m−3, respectively. This work presents a viable, energy-efficient approach for treating complex antibiotic-laden wastewater, which shows significant potential in agricultural wastewater applications.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123414"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036702","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
A multi-moment conserving cell average technique for the population balance equation describing aggregation and breakage 描述聚集和破坏的种群平衡方程的多矩守恒细胞平均技术
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-24 DOI: 10.1016/j.ces.2026.123439
Feiran Sun, Huajun Dong, Kan Zang
{"title":"A multi-moment conserving cell average technique for the population balance equation describing aggregation and breakage","authors":"Feiran Sun,&nbsp;Huajun Dong,&nbsp;Kan Zang","doi":"10.1016/j.ces.2026.123439","DOIUrl":"10.1016/j.ces.2026.123439","url":null,"abstract":"<div><div>In this paper, a novel sectional method named multi-moment conserving cell average technique (MMC-CAT) is proposed for solving the population balance equations (PBEs) incorporating particle aggregation and breakage. To overcome the limitation of classical sectional methods, which are restricted to conserving only one or two low-order moments, a multi-pivot cell method is established to preserve moments up to the fifth order by redistributing particles between two adjacent cells, along with a non-negativity check method to address the instability arising from particle assignment. As a result, both the particle size distribution (PSD) and high-order moments, i.e., the first six moments, could be predicted more precisely compared to existing methods. The effectiveness and merits of the proposed method are illustrated by application to different benchmark problems associated with particle aggregation and/or breakage.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123439"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034196","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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