Chemical Engineering Science最新文献

{"title":"Nanocapsules induce in situ grafting of polyelectrolytes and structural rearrangement of polyamide layers","authors":"Yunhuan Chen, Weier Wang, Xinyue Liu, Xiaoxiao Duan, Yongsheng Ren","doi":"10.1016/j.ces.2025.121437","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121437","url":null,"abstract":"Highly permselective and antifouling nanofiltration (NF) membranes are desirable materials for ion sieving. Integrating favorable properties through interfacial polymerization (IP) is challenging. Herein, nano-encapsulation of polyethyleneimine (PEI) is performed using a functional group pre-protection approach. By precisely controlling the release process of the nanocapsules during IP reaction to achieve in situ deep cross-linking of PEI. Nanocapsule-modulated IP (NMIP) strategy affects the morphology of polyamide network in several ways, with the Turing structure endowing the membrane with higher water permeance (15.1 L m^-2h⁻¹ bar⁻¹) and a narrowed pore size that enhances the ion-sieving properties (Cl^-/SO₄^2- selectivity of 68.5). The nearly electroneutral separation layer shows low fouling rates and flux recoveries of up to 97.1 % in the treatment of charged organics and high stability under long-term high-loaded contamination conditions. This study unlocks new avenues for the precise, low-cost fabrication of high-performance ion-sieving materials.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"14 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143485759","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}

{"title":"Turbulence-assisted shear regulatable synthesis of Ag nanoparticles using a counter axial-swirling impinging jet flow reactor","authors":"Jiaying Lu, Yanqing Guo, Yihang Xin, Xiaogang Yang, Jiusheng Li","doi":"10.1016/j.ces.2025.121418","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121418","url":null,"abstract":"Achieving a controllable synthesis of metal nanoparticles depends very much on the hydrodynamics of the synthesis process, in particular the local turbulence that has been considered to have a significant impact on the synthesised nano particle size and morphology. This paper reports the study on turbulence induced shear regulatable synthesis of the silver nanoparticles (AgNPs) using a counter axial-swirling impinging jet flow reactor (CASIJR), exploring the effect of turbulent shear stress on the formation of AgNPs. The micro-mixing and turbulence induced shear in the flow inside the CASIJR reactor were evaluated using Reynolds Average Navier-Stokes (RANS) modelling coupled with the Reynolds Stress Model (RSM). It was indicated from the simulations that an increase in the axial-swirling circular pipe flow diameter based Reynolds number from 3300 to 4900 would enhance the mixing and local turbulence induced shear, characterising by an increase in the mixing index. It was also found from the AgNPs synthesis experiments that there exists a strong correlation between the turbulent shear stress <span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mover accent=\"true\" is=\"true\"><mrow is=\"true\"><msup is=\"true\"><mrow is=\"true\"><mi is=\"true\">u</mi></mrow><mo is=\"true\">′</mo></msup><msup is=\"true\"><mrow is=\"true\"><mi is=\"true\">v</mi></mrow><mo is=\"true\">′</mo></msup></mrow><mrow is=\"true\"><mo stretchy=\"true\" is=\"true\">¯</mo></mrow></mover></math>' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"2.317ex\" role=\"img\" style=\"vertical-align: -0.235ex;\" viewbox=\"0 -896.2 1717.6 997.6\" width=\"3.989ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><g is=\"true\" transform=\"translate(35,0)\"><g is=\"true\"><g is=\"true\"><g is=\"true\"><use xlink:href=\"#MJMATHI-75\"></use></g></g><g is=\"true\" transform=\"translate(572,288)\"><use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-2032\"></use></g></g><g is=\"true\" transform=\"translate(867,0)\"><g is=\"true\"><g is=\"true\"><use xlink:href=\"#MJMATHI-76\"></use></g></g><g is=\"true\" transform=\"translate(485,288)\"><use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-2032\"></use></g></g></g><g is=\"true\" transform=\"translate(0,217)\"><g is=\"true\"><use x=\"-70\" xlink:href=\"#MJMAIN-AF\" y=\"0\"></use><g transform=\"translate(182.79972124058656,0) scale(2.564032787905229,1)\"><use xlink:href=\"#MJMAIN-AF\"></use></g><use x=\"1217\" xlink:href=\"#MJMAIN-AF\" y=\"0\"></use></g></g></g></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mover accent=\"true\" is=\"true\"><mrow is=\"true\"><msup is=\"true\"><mrow is=","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"30 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143485754","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}

{"title":"A novel insight of the catalytic mechanism of ionic liquids and H2SO4 on the synthesis of 1,3,5-trioxane","authors":"Ke Yuan, Tao Zhang, Li Lv, Yan Wang, Zongpeng Zou, Shengwei Tang","doi":"10.1016/j.ces.2025.121377","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121377","url":null,"abstract":"Clarifying the catalytic mechanism is essential to intensify the production of 1,3,5-trioxane (TOX). The equilibrium distribution of linear oligomers (MG_n) in formaldehyde aqueous solution (FA-AS) has an important effect on the TOX yield. The equilibrium distributions of MG_n in FA-AS at 25 °C with the addition of 1,3-bis-(3-sulfonic acid)propyl imidazolium bisulfate ([PS₂Im]HSO₄), 1-(3-sulfonic acid)propyl-3-methylimidazolium bisulfate ([PSMIm]HSO₄), 1-propyl-3-methylimidazolium bisulfate ([PMIm]HSO₄), and H₂SO₄ were systematically studied respectively. The results show that the reaction from MG₁ to MG_n (n > 1) was promoted by the above-mentioned additives. The performance of these catalysts in changing the equilibrium content of MG_n was in the order [PS₂Im]HSO₄ > H₂SO₄ > [PSMIm]HSO₄ > [PMIm]HSO₄. This order was consistent with the experimental results about the intensification of ILs to the synthesis of TOX catalyzed by H₂SO₄. Furthermore, the mechanism was also studied by DFT calculation and experimental verification. The results show that the H-bonds interaction between H₂SO₄/ILs and H₂O reduces the water activity, and then changes the equilibrium distribution of MG_n. With the increase of MG₃ concentration and the acidity in FA-AS, the formation reaction of TOX was promoted. This study provided a theoretic guidance for the development of catalysts or cocatalysts of the TOX synthesis.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"52 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495864","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}

{"title":"A simplified CFD approach for modeling mass transport in catalytic open-cell foams","authors":"Ginu R. George, Sai Krishna Danda, Gregor D. Wehinger","doi":"10.1016/j.ces.2025.121416","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121416","url":null,"abstract":"A simplified macroscopic CFD approach is presented to model mass transport including chemical reactions in washcoated open-cell foams. The foam is treated as a porous medium. Species conversion during chemical reactions is modeled using appropriate source terms based on reaction rate expressions and modified to account for the mass transport resistances occurring at the fluid-washcoat interfaces and within the washcoat layers. As example, the catalytic CO oxidation over platinum is studied. The simulation results show good agreement with experimental data from literature. A parametric study on washcoat parameters, such as thickness, tortuosity, porosity, and size, is carried out. Increasing the washcoat thickness from 5 to 100 µm or decreasing the tortuosity to porosity ratio from 5 to 20 decreases the CO conversion by 10 %. The proposed model is found to be reliable and has the advantage of lower computational cost, making it a suitable tool for foam-based catalytic reactor design.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"22 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143477515","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}

{"title":"Identification of the flow structure of dense phase in a gas-solid fluidized bed reactor in bubbling fluidization regime with Geldart B + A particles","authors":"Xuesen Chai, Anyu Wang, Zhijie Fu, Chenlong Duan, Xiaotao Bi","doi":"10.1016/j.ces.2025.121424","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121424","url":null,"abstract":"Gas-solid fluidized bed in the bubbling fluidization regime is extensively used in various industrial applications involving thermochemical conversion. The gas–solid suspension can be separated into bubble phase, emulsion phase and intermediate phase (mid-phase). Among them, intermediate phase plays a very important role in enhancing gas–solid contact and reaction performance, but there is a lack of its effective identification method. In this study, a descriptive statistical method including the indexes of standard deviation, skewness and kurtosis is proposed to identify the intermediate zone, and the solids holdup boundary thresholds of mid-phase and dense phase can be effectively determined at different conditions. The local solids-holdup in the intermediate phase is found to range from 0.2 to 0.3, and the local volume proportion varies between 0.1 and 0.2. Detailed insights into the intermediate phase structure in a bubbling fluidized bed reactor of Geldart B + A particles are revealed for the design and operation purposes.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"24 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143485798","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}

{"title":"Experimental and modeling investigation of moisture-induced interparticle forces in the fluidization and de-aeration of irregular, rough particles","authors":"Heitor Otacílio Nogueira Altino, Giovani Aud Lourenço, Carlos Henrique Ataíde, Claudio Roberto Duarte","doi":"10.1016/j.ces.2025.121434","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121434","url":null,"abstract":"Handling wet, irregular, and rough particles in processes like pneumatic conveying and hopper discharge is challenging due to clogging, reduced flowability, and liquid bridge forces. Air injectors assist by fluidizing materials, but their effectiveness depends on understanding moisture’s impact on fluidization and de-aeration. This study investigates moisture-induced interparticle forces on fluidization and de-aeration of irregular, rough particles, using drill cuttings. Ten moisture levels spanning pendular, funicular, and capillary states were analyzed for their effects on packed bed, fluidization, and de-aeration characteristics. Results identified three moisture categories: dry (1.3–7.7%), cohesive (7.7–27.6%), and slurry (27.6–44.0%). Moisture minimally affected the dry state but hindered fluidization and air retention in the cohesive state. In the slurry state, fluidization caused high-pressure drops, and air retention increased via bubble formation. Modeling showed that accounting for liquid bridges between particles and asperities accurately predicted interparticle forces. These findings improve the handling and modeling of wet, rough particles.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"177 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143485799","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}

{"title":"Closed-loop gasoline blending scheduling based on real-time optimized slack feedback","authors":"Renchu He, Xinyu Yan, Junjie Hua, Jiajiang Lin, Liang Zhao","doi":"10.1016/j.ces.2025.121426","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121426","url":null,"abstract":"Gasoline blending is a complex process that involves mixing various components to produce refined gasoline, directly affecting the economic efficiency and product quality of the refinery. To produce gasoline that meets quality standards with minimal excess in property specifications and at the lowest cost, meticulous development of blending scheduling plans is essential. This ensures reasonable allocation of resources, such as component oils, storage tanks, pumps, and pipelines. Additionally, to overcome fluctuations in oil properties and flow rates, maximize blending efficiency, and ensure product quality standards are met, it is necessary to introduce real-time optimization control technology. However, traditional gasoline blending scheduling optimization methods often overlook the connection with real-time optimization, leading to a disjunction between scheduling plans and actual operations. Therefore, this paper proposes a closed-loop scheduling strategy based on real-time optimization slack feedback. The real-time optimization model incorporates slack parameters into the property constraints. When the real-time optimization process causes the refined gasoline quality to fall short of standards because of fluctuations in component oil properties or flow rates. Slack parameters are used to feedback and adjust the constraints and objective function of the scheduling model, re-solving the subsequent blending plans. Case analysis results show that the proposed closed-loop scheduling strategy can adjust the scheduling model based on slack feedback, correcting non-compliant gasoline properties.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"31 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143477514","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}

{"title":"Re-entrainment mechanism of submicron particles during electrostatic capture process","authors":"Yong Zhu, Zhenpeng Huang, Shanlong Tao, Jitong Chen, Xiaoyong Yang, Wei Yin, Wenfeng Shangguan, Zhishan Bai","doi":"10.1016/j.ces.2025.121417","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121417","url":null,"abstract":"In this work, a controllable electric field with plate-plate structure, whose ratio between plate length and plate-plate spacing can reach up to be 65 for mostly possible capture of targeted particles, is firstly established in laboratory level for investigating the re-entrainment mechanism of submicron particles. Computational fluid dynamic and response surface method are employed to analyze the distribution characteristics of multiple physical fields and the influence of various parameters on particle re-entrainment effect. Experimental results indicate that particle concentration decreases gradually, which follows three distinct stages of particle motion: the acceleration stage, linear motion stage, and re-entrainment stage. Gas velocity is identified as the most significant factor affecting particle re-entrainment, while charger current has a relatively minor effect. A reliable regression model for theoretical collection length has been developed and validated against experimental data, providing credible predictive values for the required collection length to capture most submicron particles","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"209 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143473462","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}

{"title":"High rate, long cycle life potassium metal anode based on multifunctional nanodot additives","authors":"Yan Liu, Weibo Han, Ling Wang, Shan Liu","doi":"10.1016/j.ces.2025.121388","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121388","url":null,"abstract":"Potassium mental batteries (PMBS) have received keen concern in energy storage and supply, because of its high energy density and abundant resources. Whereas, the high reactivity of potassium metal resulted in side reactions and dendrites growth, which can significantly affect commercial application of the batteries. In this work, the carbon dots (CDs) are introduced as an electrolyte additive to inhibit side reactions and dendrites growth. The surface of ultrasmall CDs is modified by electronegative functional groups, which make it provide abundant active sites for ion transfer and show affinity for K⁺, which can adsorb K⁺ to achieve uniform deposition. The K||K symmetric cells with CDs can cycle steadily more than 1000 h, and the critical current density can reach 5.5 mA cm⁻². The work is simple and easy to implement, with good universality, providing an effective solution strategy for the application of high rate, long-life potassium metal batteries.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"15 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143473467","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}

{"title":"Machine learning enabled catalytic wet peroxidation of levofloxacin bearing wastewater using Cu/MCM-41","authors":"Gayatri Rajput, Vijayalakshmi Gosu, Vikas Kumar Sangal, Ram B. Gupta, Verraboina Subbaramaiah","doi":"10.1016/j.ces.2025.121413","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121413","url":null,"abstract":"Levofloxacin (LVOX) is a widely used antibiotic and persistent in environment that causes major health and environmental risks. The present study investigated the catalytic wet peroxidation (CWPO) of LVOX wastewater using different weight percentages of copper (0.5–5 wt%) on MCM-41. Among these, 1 % Cu/MCM-41 showed better catalytic activity for the remove of LVOX. The surface area and pore volume of the MCM-41 decreased upon copper loading onto the MCM-41 framework (Cu/MCM-41), from 712 m²/g to 605 m²/g and 0.987 mL/g to 0.816 mL/g, respectively. X-ray photoelectron spectroscopy (XPS) analysis confirmed the presence of Si 2p, O 1 s, and C 1 s at consistent binding energies across all samples. However, in Cu/MCM-41, an additional Cu 2p peak was detected at 933.3 eV, that indicates the successful incorporation of copper species on MCM-41 framework. The maximum LVOX removal was observed 94 % and mineralization was observed 64 % through CWPO process at optimized reaction conditions of pH 10, a catalyst dosage of 1 g/L, H₂O₂ of 13.7 mmol/L, LVOX initial concentration of 500 mg/L, temperature of 333 K, and residence time of 180 min. LVOX mineralization kinetics follows a pseudo-first-order reaction with an R² of 0.99. The thermodynamic study revealed that the CWPO of LVOX is non-spontaneous and endothermic in nature. Machine learning (ML) models were deployed to analyze the experimental data, including Gaussian support vector machine (G-SVM), Fine Tree-Random Forest regression (FT RFR), LS-boost regression (LS-BR), and Artificial neural network (ANN). The G-SVM, FT-RFR, LS-BR, and ANN model showed an adequate prediction of the response, with absolute average deviation (AAD) of 0.462, 1.71, 2.401, and 2.917 and root mean squared error (RMSE) of 6.531, 7.700, 9.346 and 9.665, respectively. Among these models, G-SVM demonstrated the highest prediction accuracy, with the lowest RMSE and AAD compared to other fitted models.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"50 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143470885","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}