Chemical Engineering Science最新文献_第5页

Investigation of uranium-contaminated zeolite solidification mechanism: Experiments and molecular dynamics simulation

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-07 DOI: 10.1016/j.ces.2025.121333

Fen Luo , Jiahong Wang , Yang Li , Beilong Yuan , Xirui Lu

{"title":"Investigation of uranium-contaminated zeolite solidification mechanism: Experiments and molecular dynamics simulation","authors":"Fen Luo , Jiahong Wang , Yang Li , Beilong Yuan , Xirui Lu","doi":"10.1016/j.ces.2025.121333","DOIUrl":"10.1016/j.ces.2025.121333","url":null,"abstract":"<div><div>The uranium (U)-contaminated zeolite waste will influence humans and related ecosystems. Therefore, the contaminated zeolite waste should be treated safely to achieve the effective immobilization of radionuclides. In this work, the U-contaminated zeolite samples were solidified into glass and glass–ceramic forms. The phase, micromorphology, chemical state, and chemical stability of zeolite waste samples were studied. When the U doping amounts were 0–50000 μg/g, the density values of sintered samples increased from 2.13 to 2.48 g·cm<sup>−3</sup>. With the product consistency test method, the <em>NR</em> (normalized leaching rate) of U remained approximately 10<sup>−6</sup> g·m<sup>−2</sup>·d<sup>−1</sup> at 42nd day, suggesting that the samples have excellent chemical durability. Molecular dynamics simulation results suggested that the solidified body consisted of [AlO<sub>4</sub>] and [SiO<sub>4</sub>] tetrahedrons and [AlO<sub>4</sub>] tetrahedrons were less rigid than [SiO<sub>4</sub>] tetrahedrons. This study will offer valuable insight into the management of radioactive zeolite waste during the subsequent stage.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121333"},"PeriodicalIF":4.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143258122","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

Evaluation of particle mass transfer rates in electrostatic precipitators

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-07 DOI: 10.1016/j.ces.2025.121338

Austin J. Andrews, Christopher J. Hogan Jr.

引用次数: 0

Recent advancements on elimination of emerging contaminants by homogeneous metal-catalyzed sulfur(Ⅳ) oxidation

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-07 DOI: 10.1016/j.ces.2025.121320

Shijie Kuang , Hongbin Wang , Youlun Su , Jiaxi Tang , Min Luo , Changyun Mao , Xu Ren , Bo Chen , Xiaohui Lu , Yongsheng Fu

{"title":"Recent advancements on elimination of emerging contaminants by homogeneous metal-catalyzed sulfur(Ⅳ) oxidation","authors":"Shijie Kuang , Hongbin Wang , Youlun Su , Jiaxi Tang , Min Luo , Changyun Mao , Xu Ren , Bo Chen , Xiaohui Lu , Yongsheng Fu","doi":"10.1016/j.ces.2025.121320","DOIUrl":"10.1016/j.ces.2025.121320","url":null,"abstract":"<div><div>The presence of emerging contaminants (ECs) in the environment poses a significant threat to water security and human welfare, which is an urgent problem to solve. Sulfur(Ⅳ) (S(Ⅳ)) combined with metal ions advanced oxidation technologies (AOTs) can generate diversified reactive oxygen species, showing great performance for ECs treatment. Importantly, the application of S(Ⅳ) can be considered a process of using waste to treat waste. This paper is aimed at reviewing the latest progress on ECs elimination by homogenous metal-catalyzed S(Ⅳ) oxidation. The in-depth mechanism analyses and enhancing strategies on S(Ⅳ) activation were summarized. Subsequently, the pivotal influence factors, such as pH, dissolved oxygen (DO), and S(Ⅳ) concentration for ECs removal performance were analyzed. And intermediate toxicity evaluation of ECs was conducted. This study also indicated that intermediate toxicity effectively decreased after application by such processes. Additionally, some helpful suggestions and prospects were proposed to guide the development direction for metal-catalyzed S(Ⅳ) processes. For instance, most current research is confined to the laboratory scale, necessitating the promotion of translating research outcomes into practical applications. Meanwhile, future studies should focus on improvement on paraments optimization via machine learning. A research gap has been identified for investigating the high-valent metal-oxo intermediates in such processes, especially for ECs degradation. This review is hopeful for promoting understanding and application of metal-catalyzed S(Ⅳ) processes for water purification.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121320"},"PeriodicalIF":4.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143371541","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

Amphiphilic CoP/CN heterojunction for photocatalytic microplastics degradation synergistic hydrogen generation

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-07 DOI: 10.1016/j.ces.2025.121336

Yanan Liu , Congcong Shen , Jie Hu , Xuhui Zou , Yuke Qi , Zhigang Ge , Siqian Zhang , Hongmei Wang , Yangang Wang

{"title":"Amphiphilic CoP/CN heterojunction for photocatalytic microplastics degradation synergistic hydrogen generation","authors":"Yanan Liu , Congcong Shen , Jie Hu , Xuhui Zou , Yuke Qi , Zhigang Ge , Siqian Zhang , Hongmei Wang , Yangang Wang","doi":"10.1016/j.ces.2025.121336","DOIUrl":"10.1016/j.ces.2025.121336","url":null,"abstract":"<div><div>Microplastics, a novel kind of environmental pollutant, have attracted global attention due to detrimental effects on organisms and ecosystems. In this study, solvothermal method combined with phosphating treatment were used to prepare a series of amphiphilic CoP/g-C<sub>3</sub>N<sub>4</sub> composites (CoP/CN), which facilitate the resource conversion of microplastics into high-value carbon-containing products through photocatalytic oxidation, while simultaneously producing clean energy by splitting water into hydrogen (H<sub>2</sub>). The photocatalytic activity of CoP/CN in the reaction process of microplastics degradation synergistic hydrogen generation is influenced by the hydrophilicity and CoP content. It was found that treating g-C<sub>3</sub>N<sub>4</sub> with ethanol can enhance the hydrophily of the resulting CoP/CN material. Notably, at a CoP content of 2 wt%, the CoP/CN (E) exhibited a smaller contact angle of 39.48° lower than those of other samples, achieving the highest H<sub>2</sub> evolution activity of 1.3 mmol g<sup>−1</sup> within 4 h. Besides, the microplastic (PET) can be successfully degraded and transformed into value-added products using amphiphilic CoP/CN material under irradiation. This investigation offers a promising photocatalytic strategy for the sustainable management of microplastics pollutant, highlighting the potential for resource recovery and clean energy generation.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121336"},"PeriodicalIF":4.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143258121","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

CO2 absorption/desorption and mass transfer performance of MDEA-MEA blended solution in micropacked bed reactors

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-07 DOI: 10.1016/j.ces.2025.121342

Le Sang , Tao Zhou , Wei-Yao Yang , Yong Cai , Hong-Da Zhang , Yu Lang

{"title":"CO2 absorption/desorption and mass transfer performance of MDEA-MEA blended solution in micropacked bed reactors","authors":"Le Sang , Tao Zhou , Wei-Yao Yang , Yong Cai , Hong-Da Zhang , Yu Lang","doi":"10.1016/j.ces.2025.121342","DOIUrl":"10.1016/j.ces.2025.121342","url":null,"abstract":"<div><div>Micropacked bed reactors (μPBRs) present excellent transport performance, but lack of related MEA/MDEA blended solution for CO<sub>2</sub> absorption/desorption that hinder the application of decarbonization. In this study, CO<sub>2</sub> absorption/desorption and mass transfer performance in MEA/MDEA blended solution have been investigated in μPBRs with ceramic beads. The effects of operating conditions including fluid superficial velocity, temperature, initial concentration and loading CO<sub>2</sub> of MEA/MDEA blended solution on the absorption/desorption efficiency, desorption rate, and mass transfer coefficient are discussed. The value of <em>k</em><sub>L</sub>a of μPBRs with MEA/MDEA blended solution is 0.45 ∼ 8.42 s<sup>−1</sup> for CO<sub>2</sub> absorption process, which is bigger than that of conventional reactors and μPBRs with single component amine. For desorption process, the value of desorption efficiency and rate is 19.6–52.1 % and 0.08–1.46 mmol/min, respectively. Compared to the microchannel reactors, MEA/MDEA blended solution shows high desorption efficiency and rate in μPBRs. Additionally, the empirical correlation of <em>k</em><sub>L</sub><em>a</em> is proposed for CO<sub>2</sub> absorption.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121342"},"PeriodicalIF":4.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143371580","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

Sub-nanoconfined selective transport and competitive permeation behaviors in carbon molecular sieve membranes for gas separation

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-07 DOI: 10.1016/j.ces.2025.121344

Mengjie Hou , Lin Li , Meudjeu Tognia , Zilong He , Xinyu Dong , Yunhua Lu , Ruisong Xu , Tonghua Wang , Xigao Jian

{"title":"Sub-nanoconfined selective transport and competitive permeation behaviors in carbon molecular sieve membranes for gas separation","authors":"Mengjie Hou , Lin Li , Meudjeu Tognia , Zilong He , Xinyu Dong , Yunhua Lu , Ruisong Xu , Tonghua Wang , Xigao Jian","doi":"10.1016/j.ces.2025.121344","DOIUrl":"10.1016/j.ces.2025.121344","url":null,"abstract":"<div><div>Carbon molecular sieve membranes (CMSMs) derived from finely-engineered polymeric precursor are promising for gas separations. However, the microstructure-determined gas transport characteristics and separation mechanism within CMSM systems remain unclear. Herein, we investigate the sub-nanoconfined selective transport and competitive permeation behaviors of precursor-regulated CMSMs for H<sub>2</sub>/N<sub>2</sub> separation, using a combination of experimental analyses, modeling, and nonequilibrium molecular dynamics simulations. Results indicate that the faster permeation of small-sized H<sub>2</sub> molecule through CMSMs, compared to N<sub>2</sub> molecule, is attributable to its larger permeable pore volume and higher connectivity of the pore-channels within the bulk membrane. Despite the distinct difference in preferred adsorption locations within CMSMs with different microporous natures, the aggregation of adsorbed N<sub>2</sub> molecules will hinder the transport of H<sub>2</sub> molecules through the membranes, resulting in competitive permeation. The valuable insights into the gas transport behavior and mechanism presented here will benefit the development of next-generation CMSMs for efficient gas separations.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121344"},"PeriodicalIF":4.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143371523","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

Fragmentation of wet agglomerates after normal impact with a flat surface: Experimental study and DEM simulation

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-07 DOI: 10.1016/j.ces.2025.121339

Jialiang Cai, Jiliang Ma, Zuyang Zhang, Xiaoping Chen, Daoyin Liu, Cai Liang

{"title":"Fragmentation of wet agglomerates after normal impact with a flat surface: Experimental study and DEM simulation","authors":"Jialiang Cai, Jiliang Ma, Zuyang Zhang, Xiaoping Chen, Daoyin Liu, Cai Liang","doi":"10.1016/j.ces.2025.121339","DOIUrl":"10.1016/j.ces.2025.121339","url":null,"abstract":"<div><div>The mechanisms that govern the deformation and fragmentation of wet agglomerates upon impact with a solid surface remain inadequately understood. This study aims to investigate the dynamics of wet agglomerates following a normal impact combining an experimental method and discrete element method (DEM) simulations that incorporate a liquid bridge model. Typical dynamical parameters, including damage ratio, capture ratio, dimensionless expansion radius, average expansion kinetic energy, and coordination number, are introduced to characterize the deformation and fragmentation processes of wet agglomerates. The findings reveal that wet agglomerates undergo deformation without disintegration at low impact velocities, while fragmentation occurs at higher velocities. The presence of liquid bridge forces between particles significantly enhances the ability of agglomerates to resist fragmentation. Furthermore, a regime map is established to categorize the behaviors of wet agglomerates upon normal impacts into four distinct categories: minor deformation, minor fragmentation, major fragmentation, and disintegration.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121339"},"PeriodicalIF":4.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143371481","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

Controlled depolymerization of polyethylene terephthalate based on twin-screw extruder and repolymerization of the depolymerized products

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-02-07 DOI: 10.1016/j.ces.2025.121341

Han Wang , Xin Wei , Weizhong Zheng , Hao Tang , Zhenhao Xi , Weizhen Sun , Ling Zhao

{"title":"Controlled depolymerization of polyethylene terephthalate based on twin-screw extruder and repolymerization of the depolymerized products","authors":"Han Wang , Xin Wei , Weizhong Zheng , Hao Tang , Zhenhao Xi , Weizhen Sun , Ling Zhao","doi":"10.1016/j.ces.2025.121341","DOIUrl":"10.1016/j.ces.2025.121341","url":null,"abstract":"<div><div>The highly-efficient alcoholysis strategy of PET and the reuse of the depolymerization products are of great importance. This study develops continuous and efficient depolymerization strategy of PET without catalysts using a twin-screw extruder with BHET as the alcoholysis agent. The results show that PET can be rapidly depolymerized into oligomers (3000–6000 g/mol) in a few minutes with the molecular weight effectively controlled by adjusting BHET amounts. The screw speed and the amount of BHET added have a significant impact on the molecular weight of the oligomers. The alcoholysis reaction follows first-order reaction kinetics with a high activation energy (97 kJ/mol). The oligomers obtained from depolymerization are melt condensed to prepare regenerated PET (rPET) within 1 h, which has thermodynamic properties similar to commercial PET. The recycling strategy of “polymer-oligomer-polymer” saves reaction time, improves recycling efficiency, and provides a new idea for the treatment of waste plastics.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121341"},"PeriodicalIF":4.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143371484","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

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