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Benchmarking excipient-free submicron celecoxib particle production: a DoE approach comparing supercritical enhanced atomization and electrospraying towards particle size and polymorphic control 对标无辅料亚微米塞来昔布颗粒生产:一种DoE方法比较超临界增强雾化和电喷涂对颗粒大小和多晶型控制
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.2026.123412
Clarinda Costa , Maurice N. Collins , Luis Padrela
{"title":"Benchmarking excipient-free submicron celecoxib particle production: a DoE approach comparing supercritical enhanced atomization and electrospraying towards particle size and polymorphic control","authors":"Clarinda Costa ,&nbsp;Maurice N. Collins ,&nbsp;Luis Padrela","doi":"10.1016/j.ces.2026.123412","DOIUrl":"10.1016/j.ces.2026.123412","url":null,"abstract":"<div><div>Controlling polymorphism represents a significant challenge in the pharmaceutical industry, particularly when atomization-based methods are used to produce particles. In this study, a comparison between two different bottom-up atomization techniques - supercritical enhanced atomization (SEA) and electrospraying - was conducted to produce submicron celecoxib (CLX) particles with controlled size and polymorphic purity. A Design of Experiments (DoE) approach was employed to assess the impact of critical process parameters for both techniques on the critical quality attributes of submicron CLX particles, including particle size and polymorphic form. CLX particles with the lowest particle size of 248 ± 54 nm and 99 ± 1% purity of the thermodynamically stable polymorphic form III were obtained using SEA, at a drug concentration of 60 mg/mL, solution flow rate of 0.8 mL/min and a CO<sub>2</sub> temperature of 40°C. For electrospraying, CLX particles with a particle size of 519 ± 138 nm and 95 ± 7% purity of form III were obtained at a drug concentration of 15 mg/mL, voltage of 20 kV, and a solution flow rate of 9 mL/h. The tabletability, compressibility, and compactability properties of the submicron CLX particles formulated into microcrystalline cellulose tablets were evaluated. All formulations demonstrated good flowability and mechanical strength, highlighting the effectiveness of these continuous manufacturing processes in producing excipient-free submicron particles with controlled polymorphism.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123412"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075563","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
Synergistic enhancement of electrochemical nitrogen reduction via hydrophobic interface engineering and mass transfer optimization 疏水界面工程和传质优化协同增强电化学氮还原
IF 4.3 2区 工程技术
Chemical Engineering Science Pub Date : 2026-05-01 Epub Date: 2026-01-15 DOI: 10.1016/j.ces.2026.123359
Yifei Nie , Yuhang Li , Hongping Yan , Yuying Cheng , Yiting Jiang , Yuanjin Li , Hanjiao Chen , Yuping Qiu , Shijing Liang , Lilong Jiang
{"title":"Synergistic enhancement of electrochemical nitrogen reduction via hydrophobic interface engineering and mass transfer optimization","authors":"Yifei Nie ,&nbsp;Yuhang Li ,&nbsp;Hongping Yan ,&nbsp;Yuying Cheng ,&nbsp;Yiting Jiang ,&nbsp;Yuanjin Li ,&nbsp;Hanjiao Chen ,&nbsp;Yuping Qiu ,&nbsp;Shijing Liang ,&nbsp;Lilong Jiang","doi":"10.1016/j.ces.2026.123359","DOIUrl":"10.1016/j.ces.2026.123359","url":null,"abstract":"<div><div>The electrochemical nitrogen reduction reaction (eNRR) is essential for sustainable ammonia (NH<sub>3</sub>) production in energy and agricultural sectors. However, its kinetics are impeded by the poor solubility of N<sub>2</sub> and the concurrent hydrogen evolution reaction (HER). In this work, we developed a hydrophobic interface by grafting siloxane onto a Ru/C-based electrode. Contact angle measurements and in situ electron paramagnetic resonance spectroscopy confirmed that the hydrophobic layer effectively suppresses HER. To enhance eNRR efficiency, we optimized N<sub>2</sub> mass transfer in the electrolyte by employing a horizontal electrode configuration, adjusting gas flow rate, and controlling bubble size. The movement of N<sub>2</sub> bubbles and their proximity to the electrode surface were observed through high-speed photography. Electrochemical assessments revealed that the modified electrode achieved an ammonia yield of 78 ± 1μg h<sup>−1</sup> mg<sub>cat</sub><sup>−1</sup> and a Faradaic efficiency of 48 % ± 1 %, marking a 7-fold improvement over the pristine Ru/C electrode. These findings surpass the performance of most previously reported eNRR catalysts, underscoring the efficacy of our dual approach involving hydrophobization and mass transfer optimization.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123359"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145972622","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
Blocky intermittent flow in die filling: A mechanistic and multivariate analysis for controlling batch-to-batch variation of traditional Chinese medicine powders 充填时块状间歇流动:控制中药粉末批次变化的机理和多变量分析
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.2026.123391
Huiquan Hu , Xiaorong Luo , Changchun Peng , Ying Liu , Yuanhui Li , Xuecheng Wang , Chuan-Yu Wu , Zhenfeng Wu
{"title":"Blocky intermittent flow in die filling: A mechanistic and multivariate analysis for controlling batch-to-batch variation of traditional Chinese medicine powders","authors":"Huiquan Hu ,&nbsp;Xiaorong Luo ,&nbsp;Changchun Peng ,&nbsp;Ying Liu ,&nbsp;Yuanhui Li ,&nbsp;Xuecheng Wang ,&nbsp;Chuan-Yu Wu ,&nbsp;Zhenfeng Wu","doi":"10.1016/j.ces.2026.123391","DOIUrl":"10.1016/j.ces.2026.123391","url":null,"abstract":"<div><div>This study aims to improve traditional Chinese medicine (TCM) tablet manufacturing efficiency by optimizing die filling to improve tablet uniformity. It comprehensively investigates the filling performance of 23 fermented Cordyceps powder batches to evaluate batch-to-batch variation effects. Powder flow properties were measured, and die filling behaviour was analysed using a custom system with high-speed imaging, assessing performance via critical filling velocity (Vc). A predictive model correlating flow properties with Vc was established. The powders exhibited cohesive behaviour and limited flowability. Statistical analysis revealed minor variations in bulk density, tapped density, hausner ratio, particle size distribution span, and stability index, and major principal stress, but significant inter-batch differences in D<sub>10</sub>, D<sub>50</sub>, D<sub>90</sub>, size distribution width, permeability, cohesion, and flow function. Close examination identified a distinctive “blocky intermittent flow” phenomenon during filling. Variable Importance for Projection (VIP) analysis identified particle size distribution indicators, flowability indicators, and packing indicator as the critical material attributes governing inter-batch filling performance. This study establishes that a multivariate statistical model can effectively predict key material characteristics governing batch filling dynamics in TCM powders, enabling control to improve solid dosage form quality.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"325 ","pages":"Article 123391"},"PeriodicalIF":4.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146022126","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
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
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
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