Chemical Engineering Science最新文献_第4页

Ultra-micropore confinement effect in physical activated carbon sphere enables low-temperature electrical double-layer capacitance

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-06 DOI: 10.1016/j.ces.2025.121326

Baishan Liu , Ziling Wu , Jingwei Hu , Huimei Yu , Yongzheng Zhang , Yanli Wang , Liang Zhan

{"title":"Ultra-micropore confinement effect in physical activated carbon sphere enables low-temperature electrical double-layer capacitance","authors":"Baishan Liu , Ziling Wu , Jingwei Hu , Huimei Yu , Yongzheng Zhang , Yanli Wang , Liang Zhan","doi":"10.1016/j.ces.2025.121326","DOIUrl":"10.1016/j.ces.2025.121326","url":null,"abstract":"<div><div>Activated carbon with a high specific surface area used as electrical double-layer capacitor electrodes is commonly produced by chemical activation, while chemical activation processes are frequently associated with high pollution and costs. Herein, polystyrene-divinylbenzene-based activated carbon spheres (ACS) with large specific surface area were prepared through physical activation, in which the hierarchical porous structure provides a more favorable route for electrolyte ions penetration and transport. As a result, the supercapacitors utilizing ACS electrodes exhibit higher capacitance (108.5F/g at 1 A/g) and better rate performance. The assembled EDLCs not only stabilize for 30,000 cycles with capacity retention of 92.4% but also possess a superior rate performance even at 0°C. In situ electrochemical quartz crystal microbalance reveals that eliminating the ultra-micropore confinement effect can boost ions storage. This study not only shows an understanding of the charge storage mechanism of EDLCs but also provides a novel possibility for the practical application.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121326"},"PeriodicalIF":4.1,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143191835","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

Inline mixing efficacy evaluation using an image-based convolutional neural network combined with numerical simulation and mixture sampling 利用基于图像的卷积神经网络，结合数值模拟和混合采样，进行内联混合功效评估

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-06 DOI: 10.1016/j.ces.2025.121321

Xiang Dai , Haichao Song , Liangfu Zhou

{"title":"Inline mixing efficacy evaluation using an image-based convolutional neural network combined with numerical simulation and mixture sampling","authors":"Xiang Dai , Haichao Song , Liangfu Zhou","doi":"10.1016/j.ces.2025.121321","DOIUrl":"10.1016/j.ces.2025.121321","url":null,"abstract":"<div><div>An image-based Single-kernel Convolutional Neural Network (SK-CNN) was optimized to forecast the CFD-based inline mixing uniformity of chemical pesticides in direct injection systems (DIS), and its accuracy was validated through mixture sampling (MS) tests. Optimization results indicate that applying <em>Xavier</em> parameter initialization, <em>SGDM</em> training method, <em>ReLu-type</em> activation function, <em>learning-rate decay</em>, <em>Moving-average, L2-regularization</em> models, and the fully connected module of a single hidden layer with the theoretically optimal number of nodes for the SK-CNN establishment can make the verification accuracy higher, reaching 96.28%. With repeatedly captured images as test sets, the prediction results closely align those from CFD and MS, and the overall accuracies were 96.04% and 95.71% in comparison, respectively. Generalization tests presented that the model’s accuracy for typical mixers (roughly 94%) may drop slightly below the benchmark, highlighting not only its practicality, but also the necessity for further optimization by more abundant training sets and precise labels.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121321"},"PeriodicalIF":4.1,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143191842","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

Flow characteristics in a heterogeneous bubbly flow associated with a top-submerged lance gas injection 与顶部浸没式喷枪注气相关的异质气泡流的流动特性

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-06 DOI: 10.1016/j.ces.2025.121315

Lingling Cao , Maarten Vanierschot , Huajian Wu , Lin Yi , Pei You , Zhou Wang , Qing Liu , Yannan Wang

{"title":"Flow characteristics in a heterogeneous bubbly flow associated with a top-submerged lance gas injection","authors":"Lingling Cao , Maarten Vanierschot , Huajian Wu , Lin Yi , Pei You , Zhou Wang , Qing Liu , Yannan Wang","doi":"10.1016/j.ces.2025.121315","DOIUrl":"10.1016/j.ces.2025.121315","url":null,"abstract":"<div><div>Bearing very different flow features to the widely studied homogeneous bubbly flow, the flow formed by top-submerged lance (TSL) gas injection, <em>i.e</em>., TSL flow, possesses heterogeneous and anisotropic properties. Time-resolved particle imaging velocimetry (TR-PIV) experiments were performed to measure the flow data. The results show that a large vortical region are present in the near-wall, in the near-interface and in the bubbly regions. Besides, small vortical regions are dispersed in the shear dominated region. The probability density function (PDF) profiles of the velocity fluctuations indicate that the TSL flow is clearly anisotropic. The heterogeneous flow regimes result in a different turbulent kinetic energy (TKE) transfer behavior. A <em>f</em><sup>-5/3</sup> scaling and <em>f</em><sup>-3</sup> scaling of the energy spectrum were observed, and the two scalings can coexist in specific flow regimes. In addition, an inverse energy transfer phenomenon characterized by a negative turbulent production was noticed in the TSL flow.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"306 ","pages":"Article 121315"},"PeriodicalIF":4.1,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143191838","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 process fault diagnosis based on bi-level dynamic IndRNN

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-06 DOI: 10.1016/j.ces.2025.121335

Yuping Cao, Penghang Li, Xiaogang Deng

引用次数: 0

Enhancing sustainability in PET glycolysis by closed-loop recycling 通过闭环回收提高 PET 糖酵解的可持续性

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-06 DOI: 10.1016/j.ces.2025.121337

Maria Schlüter , Jonathan Zimmer , Christoph Held , Kerstin Wohlgemuth

{"title":"Enhancing sustainability in PET glycolysis by closed-loop recycling","authors":"Maria Schlüter , Jonathan Zimmer , Christoph Held , Kerstin Wohlgemuth","doi":"10.1016/j.ces.2025.121337","DOIUrl":"10.1016/j.ces.2025.121337","url":null,"abstract":"<div><div>Glycolysis is a mild process for the chemical recycling of poly(ethylene terephthalate) (PET), but still lacks efficiency due to high waste streams. The aim of this work therefore is to facilitate recycling of ethylene glycol (EG) reactant/solvent and homogeneously dissolved zinc acetate (ZnAc<sub>2</sub>) catalyst as well as dissolved product bis(2-hydroxyethyl)terephthalate (BHET) in the water-free PET glycolysis process. Through a combined approach of re-dosing and washing we saved 48.6±0.5% of EG and 50.0±5.2% of ZnAc<sub>2</sub>. By incorporating the collection of evaporated EG during BHET drying/re-polymerization, additional 35% of EG could further be saved in each of the five duplicate runs. While applying an optimized washing procedure in the recycling experiments, an equilibrium PET conversion was consistently reached after 150min of reaction time. Furthermore, the overall process yield was maintained at 80.6±1.8% in the recycling runs and the waste stream generation was reduced to a minimum. This study highlights the viability and environmental advantages of internal recycling, paving the way for a more sustainable and cost-effective PET glycolysis process.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121337"},"PeriodicalIF":4.1,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143191840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Copper isolated sites on MXene for efficiency aniline synthesis utilizing H2S as a hydrogen source

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-06 DOI: 10.1016/j.ces.2025.121327

Dong Li, Jingqi Qu, Ganchang Lei, Shiping Wang, Shijing Liang, Xiaohai Zheng, Lijuan Shen, Yingying Zhan, Lilong Jiang

{"title":"Copper isolated sites on MXene for efficiency aniline synthesis utilizing H2S as a hydrogen source","authors":"Dong Li, Jingqi Qu, Ganchang Lei, Shiping Wang, Shijing Liang, Xiaohai Zheng, Lijuan Shen, Yingying Zhan, Lilong Jiang","doi":"10.1016/j.ces.2025.121327","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121327","url":null,"abstract":"Hydrogen sulfide (H<sub>2</sub>S), a secondary energy carrier with remarkable energy density, has emerged as an innovative hydrogen donor for the hydrogenation of nitroarenes. Nevertheless, the lack of efficient catalysts has impeded the development of this novel resource utilization method. Here, we proposed a facile and eco-friendly approach for the synthesis of isolated Cu sites on MXene catalysts by a combination of Lewis acid salt melt etching and oxidative dispersion. The as-designed MXene catalysts demonstrate high activity and product selectivity towards different nitroarenes at 70 °C within a 2 h reaction. The <em>in-situ</em> characterizations and DFT calculations reveal that the active Cu sites significantly lower the energy barriers for the nitro dissociation and hydrogenation of intermediates, facilitating amino formation. The mechanism involves an acceleration of the hydrogen transfer process over C<sub>6</sub>H<sub>5</sub>NO<sub>2</sub>*, leading to hydroxylation of the nitro group followed by deprotonation, ultimately resulting in the formation of an amino group.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"50 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143191843","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 new domain robust one-class fault detection framework for large-scale chemical processes

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-06 DOI: 10.1016/j.ces.2025.121322

Rui Wang , Kun Zhou , Hao Huang , Guangbin Shan , Feng Qiu , Linqi Zhu , Kai Song

{"title":"A new domain robust one-class fault detection framework for large-scale chemical processes","authors":"Rui Wang , Kun Zhou , Hao Huang , Guangbin Shan , Feng Qiu , Linqi Zhu , Kai Song","doi":"10.1016/j.ces.2025.121322","DOIUrl":"10.1016/j.ces.2025.121322","url":null,"abstract":"<div><div>The scarcity of fault samples in chemical processes necessitates one-class fault detection methods. Existing approaches often focus on mono-domain data, ignoring variability under different operating conditions. In practice, factors such as noise drift and fluctuating operational conditions lead to significant differences in sample distributions, resulting in high false alarm rates when these methods are applied to multi-domain data. To address this, we propose the Domain Robust One-Class (DROC) fault detection framework. DROC leverages self-supervised Contrastive Learning to align normal samples from different domains into a shared, stable feature space. It also incorporates Deep Support Vector Data Description with Outlier Exposure to improve feature compactness and discrimination. Additionally, a Transformer-based feature extractor and a novel Soft Brownian Offset algorithm are designed to capture temporal and inter-variable dependencies, improving fault detection accuracy. Applications to the Tennessee Eastman Process and a real-world pitting corrosion monitoring system demonstrate DROC’s superiority in one-class fault detection.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"306 ","pages":"Article 121322"},"PeriodicalIF":4.1,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143191833","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

Experimental study on the characteristics of gas–liquid metal two-phase flow in pool

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-06 DOI: 10.1016/j.ces.2025.121312

Zhuoya Mou , Longxiang Zhu , Yong Ouyang , Hong Zhang , Lingfeng Wan , Luteng Zhang , Simiao Tang , Liangming Pan

{"title":"Experimental study on the characteristics of gas–liquid metal two-phase flow in pool","authors":"Zhuoya Mou , Longxiang Zhu , Yong Ouyang , Hong Zhang , Lingfeng Wan , Luteng Zhang , Simiao Tang , Liangming Pan","doi":"10.1016/j.ces.2025.121312","DOIUrl":"10.1016/j.ces.2025.121312","url":null,"abstract":"<div><div>Understanding the flow characteristics of bubbles in liquid metal is crucial for the safe analysis of Steam Generator Tube Rupture (SGTR) scenarios in Lead-cooled Fast Reactors (LFRs), whereas previous studies only conducted a general analysis and have not performed a detailed analysis for the bubbles of different sizes. Experimental measurements are conducted in a liquid metal pool using double-sensor conductivity probes to obtain the hydrodynamic parameters of the gas–liquid metal two-phase flow. Bubbles are divided into two groups to reveal the influence of the flow behaviors of Group-1 (spherical/distorted) and Group-2 (cap/slug) bubbles based on the radial and cross-sectional distributions of void fraction, interfacial area concentration (IAC), Sauter mean diameter, interfacial velocity, and bubble frequency. The evolutions of characteristic parameters for different bubble types, such as bubble duration, velocity, and chord length, are presented beyond traditional approaches by extending the conductivity probe data with statistical analysis. The composition of bubbles is revealed through the investigation of the number ratios of different bubble types in the flow. Finally, applicability validation of six chord length distribution functions shows that the lognormal distribution provides the best fit, and a modified correlation is proposed to improve the fitting accuracy.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121312"},"PeriodicalIF":4.1,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143258124","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 sustainable anchoring of palladium nanoparticles on waste plastic derived functionalized robust carbon: There of application in sensing of genotoxic bio-thiol compound and oxygen evolution activity

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-06 DOI: 10.1016/j.ces.2025.121334

Harini G. Sampatkumar , Abhinandan Patra , Arnet Maria Antony , Chandra Sekhar Rout , B.S. Sasidhar , Ramesh B. Dateer , Siddappa A. Patil

{"title":"A sustainable anchoring of palladium nanoparticles on waste plastic derived functionalized robust carbon: There of application in sensing of genotoxic bio-thiol compound and oxygen evolution activity","authors":"Harini G. Sampatkumar , Abhinandan Patra , Arnet Maria Antony , Chandra Sekhar Rout , B.S. Sasidhar , Ramesh B. Dateer , Siddappa A. Patil","doi":"10.1016/j.ces.2025.121334","DOIUrl":"10.1016/j.ces.2025.121334","url":null,"abstract":"<div><div>Polyethylene terephthalate (PET) based plastic pollution is most grievous threat for environment and lives on earth. However, reusing such plastic waste as carbon (PC) resource for material development become fascinated research in concern of waste management. In this context, we report fabrication of a new <em>N</em>-heterocyclic carbene-palladium nanoparticles supported on PC (PdNPs@PC-NHC) as a promising nanocatalyst and carried out numerous analytical techniques to the aforementioned material. Insight studies on nanocatalyst for enzymatic oxidation of <em>o</em>-phenylenediamine (OPD) in the presence of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) shows effectual values of maximum velocity (Vmax) and Michaelis-Menten constant (Km) for H<sub>2</sub>O<sub>2</sub> i.e., 3.3 × 10<sup>-8</sup> Ms<sup>−1</sup> and 4.4 mM, while OPD yielded 0.5 × 10<sup>-9</sup> Ms<sup>−1</sup>, 0.29 mM respectively, demonstrating the significant potential as a nanozyme with perceptible seven recycles. Herein, the nanozyme proclaims the excellent sensitivity of 0.042 µmol<sup>−1</sup> cm<sup>−1</sup> in the detection of the sulfhydryl-containing mercaptoacetic acid (MAA) with a detection limit of 3.17 µM. Further magnitude, the same material employed as electrocatalyst for oxygen evolution reaction (OER). This exhibited remarkable OER activity with 46 mV/dec of shallow Tafel slope and 310 mV of overpotential to reach up to 40 mA/cm<sup>2</sup>. The LSV polarisation curve following the long-term 24 h chronoamperometric stability test, which confirmed resilient nature of the PdNPs@PC-NHC nanocatalyst.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121334"},"PeriodicalIF":4.1,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143258123","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

Removal of tetracycline by different clay minerals and its site energy analysis

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-06 DOI: 10.1016/j.ces.2025.121332

Yu Wang , Long Cheng , Jiyue Ding , Xiaoyu Liu , Menglan Zhao , HuaChi Yu , Xu Ma , Xianning Zheng , Fantao Meng , Pingke Yan , Zilin Meng

{"title":"Removal of tetracycline by different clay minerals and its site energy analysis","authors":"Yu Wang , Long Cheng , Jiyue Ding , Xiaoyu Liu , Menglan Zhao , HuaChi Yu , Xu Ma , Xianning Zheng , Fantao Meng , Pingke Yan , Zilin Meng","doi":"10.1016/j.ces.2025.121332","DOIUrl":"10.1016/j.ces.2025.121332","url":null,"abstract":"<div><div>Four kinds of clay minerals (montmorillonite, illite, chlorite, mica) were selected to study the adsorption of tetracycline (TC) in environment and characterized by XRD, FTIR, and SEM. The theory of sites energy distribution was established, which comprised a collection of systems and analytical methods, offering a direct and practical approach to investigating the energy distribution of adsorption sites within adsorption systems. In kinetic analysis, the adsorption of TC conforms to the quasi-second-order kinetics and internal diffusion model, showing that the number of sites has a great influence on the adsorption process. In isothermal study, the generalized Langmuir model better describes adsorption process, indicating the uneven adsorption energy. The site energy distribution theory analyzes the effects of temperature, pH and humic acid on the adsorption of TC, revealing that the change of conditions affects the number of adsorption sites and the average adsorption energy on clay minerals.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121332"},"PeriodicalIF":4.1,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143191837","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