Chemical Engineering Science最新文献

Improving the efficiency of surfactant and polymer solutions by modifying them with nanoparticle additives to increase oil recovery 用纳米颗粒添加剂对表面活性剂和聚合物溶液进行改性，提高其效率，提高采收率

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-10-08 DOI: 10.1016/j.ces.2025.122732

R.A. Vaganov, V.A. Zhigarev, M.I. Pryazhnikov, A.A. Shebeleva, I.V. Nemtsev, A.V. Minakov

{"title":"Improving the efficiency of surfactant and polymer solutions by modifying them with nanoparticle additives to increase oil recovery","authors":"R.A. Vaganov, V.A. Zhigarev, M.I. Pryazhnikov, A.A. Shebeleva, I.V. Nemtsev, A.V. Minakov","doi":"10.1016/j.ces.2025.122732","DOIUrl":"https://doi.org/10.1016/j.ces.2025.122732","url":null,"abstract":"Currently, the applicability of various nanosuspensions in the tasks of increasing oil recovery factor (ORF) is being actively investigated and numerous studies convincingly confirm their prospectiveness. At the same time, research is continuing to improve the traditional surfactant-polymer methods of flooding deposits. Combining various methods with the view to achieve a synergistic effect in increasing ORF is of great interest. This paper for the first time compares the effectiveness of diverse oil displacement fluids based on solutions of various surfactants and polymers modified with SiO2 (10 and 45 nm), Al2O3 (11 nm) nanoparticles (NPs) and unique Al2O3 aluminum oxide nanofibers. New important data on viscosity, wettability and interfacial tension, capillary imbibition rate and oil displacement efficiency on cores and microfluidic chips for solutions modified with NPs were obtained. The influence of concentration, size and morphology of NPs on the properties of surfactant and polymer solutions important for enhancing ORF was studied. It was found that adding NPs to surfactant and polymer solutions additionally significantly improves these properties. In particular, filtration experiments on cores showed that modifying a polymer solution with SiO2 NPs increases the ORF by 36.4 % compared to water and by 17.2 % compared to a polymer solution without NPs. The discovered positive synergistic effects in the interaction of surfactant solutions and polymers with NPs open up broad prospects for improving methods of increasing ORF during reservoir flooding.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"107 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241502","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

Innovative application of polyferric sulfate in deep depress pyrite activation: Activation mechanisms and sustainability benefits 聚合硫酸铁在深压黄铁矿活化中的创新应用：活化机理及可持续性效益

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-10-08 DOI: 10.1016/j.ces.2025.122752

Zhicong Wei, Junnan Qu, Peilun Shen, Haiyun Xie, Yang Liu, Haokai Di, Yan Huan, Qihao Gui, Dianwen Liu

{"title":"Innovative application of polyferric sulfate in deep depress pyrite activation: Activation mechanisms and sustainability benefits","authors":"Zhicong Wei, Junnan Qu, Peilun Shen, Haiyun Xie, Yang Liu, Haokai Di, Yan Huan, Qihao Gui, Dianwen Liu","doi":"10.1016/j.ces.2025.122752","DOIUrl":"https://doi.org/10.1016/j.ces.2025.122752","url":null,"abstract":"Pyrite, a vital raw material in metallurgy, chemical industry, battery manufacturing, and other sectors, is also a key economic product in mineral processing. However, in the flotation of complex sulfide ores, pyrite’s floatability significantly decreases due to the “depress-first, then flotation” process. This study, employing micro-flotation tests, SEM, XPS, ToF-SIMS, and zeta potential measurements, reveals that the decline in pyrite recovery stems from the formation of hydrophilic layer during prior flotation stages. To address this, polyferric sulfate (PFS) was introduced as a novel eco-friendly activator. It adjusts pH via Fe3+ hydrolysis and adsorbs/aggregates the hydrophilic layer. These actions refresh the mineral surface and enhance pyrite’s floatability. Base on these findings, the industrial-scale trials were conducted in a copper concentrator factory and achieved tremendous success. Through technological reform, the grade of pyrite concentrate was effectively improved and the cost of reagents was reduced.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"56 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241595","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

High efficiency adsorption of Cd(II) by KHCO3-activated Fe/Mn co-modified peanut shell biochar: adsorption performance, mechanisms, and life cycle assessment khco3活化Fe/Mn共改性花生壳生物炭对Cd（II）的高效吸附：吸附性能、机理及生命周期评价

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-10-08 DOI: 10.1016/j.ces.2025.122747

Yangzhou Wang, Yifan Liu, Tong Chao, Qidi Li, Yuguang Wang, Qingliang Zhao, Yangyang Wang

{"title":"High efficiency adsorption of Cd(II) by KHCO3-activated Fe/Mn co-modified peanut shell biochar: adsorption performance, mechanisms, and life cycle assessment","authors":"Yangzhou Wang, Yifan Liu, Tong Chao, Qidi Li, Yuguang Wang, Qingliang Zhao, Yangyang Wang","doi":"10.1016/j.ces.2025.122747","DOIUrl":"https://doi.org/10.1016/j.ces.2025.122747","url":null,"abstract":"Cadmium (Cd) is a ubiquitous environmental pollutant in aqueous solution worldwide, posing serious risk to human health and ecosystem stability. Adsorption using efficient adsorbents is considered the most promising method to remove Cd(II). To achieve efficient removal of Cd(II), a low-cost, environmental friendly KHCO3-activated Fe/Mn co-modified peanut shell biochar (K-FM-BC) was synthesized by one-pot method, its Cd(II) adsorption performance and mechanisms and potential environmental impact are elucidated in detail via batch adsorption, multi-spectroscopic characterization, density functional theory calculation (DFT), and Life cycle assessment (LCA). The results showed that K-FM-BC was covered by FeO and MnO particles with uneven and rough surface, its adsorption of Cd(II) was fitted to the Langmuir and pseudo-second-order kinetic models, with the theoretical maximum adsorption capacity (657.89 mg/g) much higher than many previous studies. Fourier-transform infrared spectrometer, X-ray photoelectron spectroscopy, and Zeta potential analysis showed that Cd(II) adsorption mainly involve the mechanisms of complexation, co-precipitation, and electrostatic attraction. DFT analysis showed that oxygen-containing functional groups play a decisive role in Cd(II) adsorption by K-FM-BC. Additionally, Fe- and Mn- based active sites exhibit stronger binding capacity for Cd(II), with the adsorption energies of −64.77 and −69.18 kcal/mol, respectively. LCA analysis revealed that K-FM-BC production generates 6.20 kg CO2 eq emissions, with KHCO3 as the primary contributor of the environmental impact (84 %). Cost-benefit analysis revealed that K-FM-BC demonstrates excellent cost-effectiveness among various adsorbents (96.28 g Cd/$). These results indicate that K-FM-BC has great potential in remediating Cd(II)-contaminated wastewater.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"112 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241501","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

Mechanism of Fenton oxidation promoted by ball-milled carbon black and quantitative kinetic study of different oxygen functional groups 球磨炭黑促进Fenton氧化机理及不同氧官能团的定量动力学研究

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-10-07 DOI: 10.1016/j.ces.2025.122754

Huiren Yang, Dengjie Yang, Zhiqin Li, Jing Zhang, Kecheng Wen

{"title":"Mechanism of Fenton oxidation promoted by ball-milled carbon black and quantitative kinetic study of different oxygen functional groups","authors":"Huiren Yang, Dengjie Yang, Zhiqin Li, Jing Zhang, Kecheng Wen","doi":"10.1016/j.ces.2025.122754","DOIUrl":"https://doi.org/10.1016/j.ces.2025.122754","url":null,"abstract":"Regeneration of Fe2+ in the Fenton process using the catalytic properties of carbon materials to improve pollutant removal efficiency, but pure carbon materials have limited catalytic sites, and the modification conditions are complicated and costly. In this paper, more oxygen-containing functional groups were obtained by simple ball-milling treatment, and these functional groups adsorbed Fe3+ to the surface for reaction, accelerated the regeneration of Fe2+, and obviously enhanced the catalytic effect of carbon black. After 5 h, 7 h, 9 h, and 11 h of ball milling treatment to carbon black, the AO7 removal rates were 83 %, 68 %, 74 %, and 77 %, respectively. Through kinetic studies of Fe3+ reduction experiments, the secondary kinetic rates for oxygen-containing functional groups COOH, COOC, COH, and CO were quantitatively calculated as 0.00235–0.00288 µM−1·min−1, 0.00061-0.00086 µM−1·min−1, 0.00017–0.00034 µM−1·min−1, 0.006–0.00659 µM−1·min−1. Furthermore, kinetic analysis of small-pore activated carbon using the same method yielded similar results. It has been shown that this simple ball-milling method is useful for the addition of active sites to other pure carbon materials, as well as for determining the specific reaction equation for the reduction of Fe3+ by oxygen-containing functional groups on the surface of the material in the future.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"10 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241503","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

Variation characteristics and adaptability of kinetic parameters of sludge pyrolysis in a self-designed FR-TGA 自行设计的FR-TGA污泥热解动力学参数变化特征及适应性

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-10-07 DOI: 10.1016/j.ces.2025.122742

Wenzheng Liang, Lu Zhao, Hairui Yang, Cuiping Wang

{"title":"Variation characteristics and adaptability of kinetic parameters of sludge pyrolysis in a self-designed FR-TGA","authors":"Wenzheng Liang, Lu Zhao, Hairui Yang, Cuiping Wang","doi":"10.1016/j.ces.2025.122742","DOIUrl":"https://doi.org/10.1016/j.ces.2025.122742","url":null,"abstract":"The kinetics models for the pyrolysis of sewage sludge that are based on conventional thermogravimetric analyzers are not effective in predicting the pyrolysis behavior of sludge at higher heat-mass transfer rates. Therefore, to this end, a more robust and adaptive model is needed. In the present study, a self-designed fast-reaction thermogravimetric analyzer (FR-TGA) was used to investigate the pyrolysis characteristics of sewage sludge and the influence of kinetic triplets. Based upon the results, a more accurate and reliable kinetic model was established. Results indicated that sludge pyrolysis at high heat-mass transfer rates showed lower apparent activation energy. Compared with the heating rate, the apparent kinetic parameters were more sensitive to the content of moisture in sludge. Moreover, moisture could significantly promote the pyrolysis reaction. Coupled with the mechanism of diffusion effect, a two-stage kinetic model was established, which could predict the pyrolysis process of sludge particles at high heat-mass transfer rates. The kinetic model and the behavior of various parameters could provide a reference for predicting the fast pyrolysis of sludge under different conditions.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"20 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241653","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

Machine learning-driven design of nonradical persulfate activation process for water decontamination: a case of Cu-based catalysts 非自由基过硫酸盐活化水净化工艺的机器学习驱动设计：以铜基催化剂为例

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-10-07 DOI: 10.1016/j.ces.2025.122750

Zhonghua Wang, Bin Ji, Xiuping Sun, Chenglin Liu, Chengyuan Jia, Kaiyuan Yang, Huarui Li

{"title":"Machine learning-driven design of nonradical persulfate activation process for water decontamination: a case of Cu-based catalysts","authors":"Zhonghua Wang, Bin Ji, Xiuping Sun, Chenglin Liu, Chengyuan Jia, Kaiyuan Yang, Huarui Li","doi":"10.1016/j.ces.2025.122750","DOIUrl":"https://doi.org/10.1016/j.ces.2025.122750","url":null,"abstract":"The rational design of heterogeneous persulfate activation systems with predictable mechanism remains a critical challenge for water decontamination. This study proposes a tripartite framework integrating “data-driven discovery, mechanistic decoding, and inverse design”, leveraging machine learning (ML) to simultaneously address the critical challenges of mechanism elucidation and performance prediction in persulfate-based catalysis. A comprehensive database encompassing 1,035 Cu-based catalyst datasets was constructed, enabling systematic evaluation of diverse ML algorithms. The developed Random Forest multi-classifier and CatBoost regressor achieved good performance in predicting dominant reaction mechanisms (radical/nonradical) and contaminant removal efficiency, respectively. To achieve genuine mechanistic decoding, we employed SHapley Additive exPlanations (SHAP) analysis. Moving beyond simple feature importance ranking, this approach quantifies the magnitude and direction of each feature’s contribution to individual predictions and provides nuanced insights into the underlying drivers of different catalytic pathways. Experimental validation demonstrated that their BPA removal rates in persulfate activation systems aligned remarkably with ML predictions (<12.5 %). Importantly, quenching experiments conclusively validated the model’s mechanistic predictions, confirming nonradical mechanism as the predominant contributor to the BPA removal in the designed Cu-based catalytic system. This work establishes a pioneering ML-aided catalyst design paradigm that bridges data science and environmental nanotechnology, advancing the intelligent, mechanism-aware water decontamination process.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"23 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241603","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

Channel-dependent entropy buffering in MFI zeolites: Mitigating thermal resistance in n-Heptane diffusion 通道依赖的熵缓冲在MFI沸石：减轻热阻在正庚烷扩散

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-10-06 DOI: 10.1016/j.ces.2025.122711

Mingyu Hou, Qiang Li, Shengyu Se, Xiaoxin Zhang, Rui Wang, Huan Wang, Yucai Qin, Lijuan Song

引用次数: 0

Eulerian chaos in NETmix: strange attractors and Poincaré analysis NETmix中的欧拉混沌：奇异吸引子和庞卡罗分析

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-10-06 DOI: 10.1016/j.ces.2025.122716

Joana Matos, Ricardo J. Santos, Madalena M. Dias, José Carlos B. Lopes

引用次数: 0

Kinetic assessment of supercritical methylcyclohexane dehydrogenation: Experimental and CFD modeling 超临界甲基环己烷脱氢动力学评价：实验与CFD模型

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-10-06 DOI: 10.1016/j.ces.2025.122740

Zehao Han, Jixiao Li, Hao Peng, Linlin Liu, Ying Xu, Ruijie Gao, Kang Xue, Xiaolei Guo, Xiangwen Zhang, Ji-Jun Zou, Lun Pan

{"title":"Kinetic assessment of supercritical methylcyclohexane dehydrogenation: Experimental and CFD modeling","authors":"Zehao Han, Jixiao Li, Hao Peng, Linlin Liu, Ying Xu, Ruijie Gao, Kang Xue, Xiaolei Guo, Xiangwen Zhang, Ji-Jun Zou, Lun Pan","doi":"10.1016/j.ces.2025.122740","DOIUrl":"https://doi.org/10.1016/j.ces.2025.122740","url":null,"abstract":"To address hypersonic vehicle thermal management via endothermic dehydrogenation, this work studies methylcyclohexane (MCH) dehydrogenation kinetic over Pt/SiO2 under supercritical conditions. Power-law modeling shows a near-zero MCH order, with hydrogen promoting cracking and isomerization. A Langmuir-Hinshelwood-Hougen-Watson (LHHW) model accurately describes dehydrogenation and cracking (R2 > 0.95), identifying the first H2 loss and surface reaction as their respective rate-determining steps, but fails for isomerization. An optimal hybrid LHHW/power-law model for dehydrogenation and side-reactions (R2 = 0.97, MSE < 10–5) is developed. CFD simulations using this kinetics reveal radial temperature gradients exceeding axial variations, intensifying at high wall temperatures. Cold spot position depends primarily on space velocity, while its temperature responds mainly to wall heating. This advances optimization strategies for catalytic reactors and thermal management.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"74 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145229482","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

Unveiling synergistic effect of potassium permanganate and potassium ferrate to manufacture magnetic biochar by low-temperature pyrolysis for efficient adsorption of tetracycline and copper 揭示高锰酸钾和高铁酸钾在低温热解制备磁性生物炭中的协同作用，以高效吸附四环素和铜

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-10-06 DOI: 10.1016/j.ces.2025.122745

Chonglin Zheng, Weifeng Zhang, Zijing Guo, Yujie Jin, Jinying Li, Shengxu Luo, Jihui Li

{"title":"Unveiling synergistic effect of potassium permanganate and potassium ferrate to manufacture magnetic biochar by low-temperature pyrolysis for efficient adsorption of tetracycline and copper","authors":"Chonglin Zheng, Weifeng Zhang, Zijing Guo, Yujie Jin, Jinying Li, Shengxu Luo, Jihui Li","doi":"10.1016/j.ces.2025.122745","DOIUrl":"https://doi.org/10.1016/j.ces.2025.122745","url":null,"abstract":"Pyrolysis impregnation of magnetic iron is a promising strategy for preparation of magnetic biochar, but high temperature is usually required to produce magnetic iron species. Herein, a novel co-oxidative pyrolysis using potassium permanganate and potassium ferrate was explored for synthesis of magnetic biochar at 250–400 °C. Additionally, the magnetic biochar was applied to remove tetracycline and copper(II) from aqueous solution. This co-oxidative pyrolysis successfully impregnated magnetite, zero-valent iron, and manganese ferrite into carbon matrix with manganese oxides at 250 °C. Meanwhile, porous structures were created, accompanying by abundant oxygen groups. This magnetic biochar displayed 720.7 and 267.9 mg/g adsorption capacities toward tetracycline and copper(II) at 35 °C correspondingly, with 21.79 emu/g saturation magnetization. High adsorption capability was still achieved in real water matrices, showing great potential of the magnetic biochar for wastewater treatment in industry. The adsorption could be primarily contributed to hydrogen bond/complexation/π-π interaction/pore filling for tetracycline and cation exchange/complexation/electrostatic interaction/pore filling for copper(II). The success in fabrication of highly adsorptive magnetic biochar by potassium permanganate and potassium ferrate co-oxidative pyrolysis at low temperature, demonstrating oxidative magnetization was a promising technology for synthesis of high performance magnetic biochar with low energy consumption.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"103 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145229481","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