Chemical Engineering Science最新文献

Selenium (Se) doped CoS2-xSex/NC laminated nanosheets assembled accordion architecture for robust and durable sodium/potassium ion batteries

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-26 DOI: 10.1016/j.ces.2025.121737

Sibai Wu, Xiaotong Li, Yufei Zhang, Haosen Fan

{"title":"Selenium (Se) doped CoS2-xSex/NC laminated nanosheets assembled accordion architecture for robust and durable sodium/potassium ion batteries","authors":"Sibai Wu, Xiaotong Li, Yufei Zhang, Haosen Fan","doi":"10.1016/j.ces.2025.121737","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121737","url":null,"abstract":"In this manuscript, selenide (Se)-doped cobalt sulfide (CoS2-xSex/NC) with accordion architecture has been triumphantly synthesized by the synergistic high-temperature sulfidation/selenization processes of the layered close-packed structure precursor. The successful Se doping into CoS2 crystal structure can effectively extend to the interlayer spacing of CoS2 and greatly improve the electrochemical conductivity of the electrode material. Besides, the Se doping also provide enough reactive active sites for the Na+ transport and laminated nanosheets structure of CoS2-xSex/NC greatly hinder the heavy volume expansion of electrode material during the repeated charging/discharging processes. When used as the Na+ battery (SIBs) anode materials, the CoS2-xSex/NC electrode can maintain the high specific capacity of 421.7 mAh g−1 at 1.0 A g−1 after 1000 cycles. Besides, it can also hold the wonderful capacity 390 mAh g−1 at 5.0 A g−1 after 1500 cycles. This heteroatom doping strategy could pave a bright avenue for the design and preparation of novel metallic sulfides with nonmetal elements doping with excellent electrochemical and battery performance for SIBs/PIBs.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"33 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876010","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

Chemical looping combustion performance of High-Entropy dominated oxygen carriers with reserved redox characteristics

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-25 DOI: 10.1016/j.ces.2025.121674

Tianxu Shen, Tao Song, Zihan Geng, Laihong Shen, Muchuan Yang

{"title":"Chemical looping combustion performance of High-Entropy dominated oxygen carriers with reserved redox characteristics","authors":"Tianxu Shen, Tao Song, Zihan Geng, Laihong Shen, Muchuan Yang","doi":"10.1016/j.ces.2025.121674","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121674","url":null,"abstract":"Adopting the multi-principal element trend, four high entropy oxide (HEO) OCs were developed to fulfill diverse performance demands. These HEO OCs exhibited a distinctive redox pattern characterized by rapid reduction but slower oxidation. The reduction rate of HEO OCs is 1.9 and 2.6 times higher than that of perovskite and hematite OCs, but oxidation rates are only 25% of these reference OCs. Sluggish diffusion effect contributed to exceptional redox stability, exhibiting consistent reactivity, minimal agglomeration, and no phase decomposition across 30 deep redox cycles. Elemental synergies enabled exceptional CH4 conversion, with HEO OCs achieving methane conversion efficiency and CO2 selectivity both exceeding 90%. HEO OCs predominantly formed partially inverted spinel structures. Aluminum incorporation extended benefits beyond anti-sintering, also enhancing solid solution effects and oxygen vacancy formation. Sodium addition was discouraged due to limited solubility and high-temperature instability, with over 60% precepting as secondary phases and undergoing volatilization loss.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"8 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872307","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

Designing surface oxygen species for efficient partial electro-oxidation of ethylene

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-25 DOI: 10.1016/j.ces.2025.121730

Haoyang Huang, Haobo Shi, Qiang Lin, Jinbing Li, Chengxiang Li, Guangjin Zhang, Yongsheng Han

引用次数: 0

Study on the soft-sensing modeling strategy of the penicillin fermentation process based on a multi-variable time series echo state network

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-25 DOI: 10.1016/j.ces.2025.121716

Feixiang Huang, Longhao Li

引用次数: 0

Enhanced adsorption of ciprofloxacin antibiotic using novel Rubus alceifolius activated carbon/ MgAl LDH composite: Mechanistic insight 利用新型红豆杉活性炭/镁铝 LDH 复合材料增强对环丙沙星抗生素的吸附：机理研究

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-25 DOI: 10.1016/j.ces.2025.121723

引用次数: 0

Effects of distributions of particle size and density on structured bubbling in fluidized beds: CFD-DEM simulations

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-25 DOI: 10.1016/j.ces.2025.121733

Oscar J. Punch, Javad Omidi, Christopher M. Boyce

引用次数: 0

Insights into halogen-free heterogeneous CO2 cycloaddition over M-MgO catalysts using DFT calculations and microkinetic simulations: roles of metal doping and acid-base sites 利用 DFT 计算和微动力学模拟深入了解 M-MgO 催化剂上的无卤异相 CO2 环加成：金属掺杂和酸碱位点的作用

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-25 DOI: 10.1016/j.ces.2025.121729

Na Li, Bingying Han, Maohong Fan, Lixia Ling, Baojun Wang, Riguang Zhang

{"title":"Insights into halogen-free heterogeneous CO2 cycloaddition over M-MgO catalysts using DFT calculations and microkinetic simulations: roles of metal doping and acid-base sites","authors":"Na Li, Bingying Han, Maohong Fan, Lixia Ling, Baojun Wang, Riguang Zhang","doi":"10.1016/j.ces.2025.121729","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121729","url":null,"abstract":"To solve halogen residues in the product of industrial CO2 cycloaddition homogeneous systems, developing efficient halogen-free heterogeneous catalysts is an effective strategy to replace homogeneous systems. This study designed a series of M−MgO catalysts to investigate the mechanism of CO2 cycloaddition with ethylene oxide (EO). The results show that the type of doped metal M affects acid-base properties of M−MgO catalysts, thereby affecting reaction path and catalytic performance. CO2 adsorbed in the form of carboxylate and mixed coordination can act as pseudo halogen species to promote EO ring-opening; the doped metal M can also act as pseudo halogen active center to promote EO ring-opening. Two reactivity descriptors are proposed to screen out high activity Ga-MgO catalyst. The reaction rate of CO2 cycloaddition could be accelerated by enhancing the stability of transition state formed by Int2B-b ring-closing or weakening the adsorption of oxygen anion intermediate formed by EO ring-opening.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"140 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872309","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

Novel microscale-macroscale approach to predict permeability of bimodal fibrous media comprised of soft fibers

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-25 DOI: 10.1016/j.ces.2025.121724

S. Atri, A. Kumar, S. Fotovati, H.V. Tafreshi, B. Pourdeyhimi

{"title":"Novel microscale-macroscale approach to predict permeability of bimodal fibrous media comprised of soft fibers","authors":"S. Atri, A. Kumar, S. Fotovati, H.V. Tafreshi, B. Pourdeyhimi","doi":"10.1016/j.ces.2025.121724","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121724","url":null,"abstract":"In this study, we utilized a Discrete Element Model (DEM) approach to generate fibrous media comprised of flexible fibers with different diameters. This approach allowed simulations to predict the solid volume fraction (SVF) of the resulting media, which is a unique advantage over previous models reported in the literature, where SVF was used as an input to the fiber generation algorithms. We generated realistic bimodal fibrous media in which coarse and fine fibers of different mass ratios, SVFs, and coarse-to-fine fiber diameter ratios were intimately blended. Permeability of the resulting media were predicted by numerically solving the Stokes equations in the 3-D space between the fibers. To circumvent the need to conduct excessively expensive numerical simulations, we developed a Micro-Macro simulation approach in which the fine fibers were treated as porous matrix engulfing the coarse fibers. The accuracy of our CPU-efficient Micro-Macro simulations was assessed through comparison with the more accurate Micro-Micro (CPU-intensive) simulations, where the actual geometry of both the fine and coarse fibers were resolved. The Micro-Macro simulations were then used to produce a dataset of permeability values to be used in assessing the accuracy of different methods of defining an equivalent unimodal structure that can represent a bimodal fibrous medium for permeability calculation. Our study concluded that the cube-root and area-weighted mean diameter models provide the most accurate predictions for the permeability of bimodal fibrous media. Our theoretical results were compared with experimental data and reasonable agreement was observed.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"184 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872308","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

Catalytically enhanced adsorption of flue gas mercury by CuS modified iron or manganese oxides

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-24 DOI: 10.1016/j.ces.2025.121727

Shilin Zhao , Yuxin Qian , Yuchen Wang , Qi Liu , Hanzi Liu , Lidong Wang , Zhiqiang Sun

{"title":"Catalytically enhanced adsorption of flue gas mercury by CuS modified iron or manganese oxides","authors":"Shilin Zhao , Yuxin Qian , Yuchen Wang , Qi Liu , Hanzi Liu , Lidong Wang , Zhiqiang Sun","doi":"10.1016/j.ces.2025.121727","DOIUrl":"10.1016/j.ces.2025.121727","url":null,"abstract":"<div><div>This work systematically studies Hg0 removal performance of CuS modified Fe2O3 or MnO2 (SaMebOz). It shows Fe2O3 has a stronger catalytic enhancement than MnO2 on Hg0 removal of SaMebOz. Increasing Fe2O3 amount leads to a volcanic change in Hg0 removal performance of SaFebOx. At the optimal molar ratio of Fe2O3 to CuS with 3:2, Hg0 removal efficiency and Hg0 adsorption rate are 93.2% and 99.3%, respectively, where 92.5% of Hg0 is removed by adsorption. S2-, adsorbed oxygen (Oads), lattice oxygen (Olat), and hollow site of MnO2 are the main active sites to adsorb or catalyze Hg0, and Oads has a stronger Hg0 adsorption capacity than Olat. Hg0 removal by SaMebOz involves the catalytic oxidation of Hg0 to HgO by active sites, followed by the stable HgS formation through the reaction of HgO with active sulfur (S2-). The findings provide important guidance for flue gas Hg0 removal in complete adsorption way.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"313 ","pages":"Article 121727"},"PeriodicalIF":4.1,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872312","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

Laboratory-scale method for high-temperature gas-to-solid deposition and corrosion studies – P235GH and AISI316 exposed to PbCl2 and KCl 实验室规模的高温气固沉积和腐蚀研究方法 - 暴露于氯化铅和氯化钾的 P235GH 和 AISI316

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-24 DOI: 10.1016/j.ces.2025.121726

Jonne Niemi, Roland Balint, Juho Lehmusto

{"title":"Laboratory-scale method for high-temperature gas-to-solid deposition and corrosion studies – P235GH and AISI316 exposed to PbCl2 and KCl","authors":"Jonne Niemi, Roland Balint, Juho Lehmusto","doi":"10.1016/j.ces.2025.121726","DOIUrl":"10.1016/j.ces.2025.121726","url":null,"abstract":"<div><div>A novel experimental setup was developed and tested to investigate high-temperature corrosion under temperature gradients. The setup considers simultaneous deposit formation and corrosion. The setup is composed of an air-cooled probe with an exchangeable vertically aligned steel sample, inserted into a hot tube furnace. The experiments were conducted by exposing P235GH and AISI316 steel samples to PbCl2 and KCl. The salt material was vaporized from a crucible. The salt subsequently nucleated on the cooled sample surface. Material temperatures of 350–500 °C and atmospheric temperatures of 650–750 °C were tested. PbCl2 deposition increased with higher atmospheric temperatures. In addition, the oxide layer thicknesses increased with higher material and atmospheric temperatures. The presence of KCl together with PbCl2 further enhanced corrosion. The formation of FeCl2 induced the formation of eutectic molten phases, enhancing the corrosion. This research contributes to understanding the challenges posed by high-temperature corrosion in waste-fired boilers.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"313 ","pages":"Article 121726"},"PeriodicalIF":4.1,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872311","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