Chemical Engineering Science最新文献_第2页

Unsteady dissolution and diffusion process of CaO in high-aluminum, low-magnesium CaO-MgO-Al2O3-SiO2-FeO acidic slags based on molecular dynamics simulation

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-08 DOI: 10.1016/j.ces.2025.121646

Ziyu Guo, Yanbing Zong, Jianliang Zhang, Xiaoyue Fan, Yanxiang Liu

{"title":"Unsteady dissolution and diffusion process of CaO in high-aluminum, low-magnesium CaO-MgO-Al2O3-SiO2-FeO acidic slags based on molecular dynamics simulation","authors":"Ziyu Guo, Yanbing Zong, Jianliang Zhang, Xiaoyue Fan, Yanxiang Liu","doi":"10.1016/j.ces.2025.121646","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121646","url":null,"abstract":"The dissolution behavior of high-aluminum acidic slag by CaO was investigated using molecular dynamics simulations. At 1700℃, the average solution-diffusion rates of Ca<sup>2+</sup> and O<sup>2–</sup> ions with target basicity of 0.90, 1.00, 1.10 and 1.20 were 0.96, 1.00, 1.01 and 1.03 times that of 0.80 during 1000 ps, respectively. From 25℃ to 1700℃, the dissolution of Ca<sup>2+</sup> ions in the slag were initiated at approximately 800 °C, followed by rapid dissolution around 1200 °C. The dissolution rates increased significantly as the transitions from solid-phase dissolution to liquid-phase dissolution. Furthermore, a mechanism for the unsteady dissolution of CaO was proposed, in which the dissolution process is divided into two stages: interfacial dissolution and mass transfer diffusion. At low temperatures and high CaO content, interfacial dissolution was identified as the rate-limiting step. Once a substantial amount of CaO had dissolved at the interface, mass transfer diffusion gradually became the dominant process.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"39 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806399","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

Upcycling polystyrene foam waste into highly efficient MOF(Cr)-incorporated fiber composite adsorbent to rid water of hazardous dyes

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-08 DOI: 10.1016/j.ces.2025.121636

Badr M. Thamer, Faiz A. Al-aizari, Hany S. Abdo, Mohamed H. El-Newehy

引用次数: 0

Study on enhanced absorption of carbon dioxide by porous liquid in mine water

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-06 DOI: 10.1016/j.ces.2025.121632

Xinrui Zhou, Linkun Ji, Kefeng Liu, Fei Gao, Zhongqi Ren, Zhiyong Zhou

引用次数: 0

Multi-objective optimization of fine pulverized coal separator based on computational fluid dynamics and genetic algorithm

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-06 DOI: 10.1016/j.ces.2025.121630

Haixia Li , Ruixiang Wang , Zhihui Li , Mengzhi Zhi , Anchao Zhang , Zhijun Sun , Xinmin Zhang , Haibin Si , Zhijian Hu , Ruiguang Hu

{"title":"Multi-objective optimization of fine pulverized coal separator based on computational fluid dynamics and genetic algorithm","authors":"Haixia Li , Ruixiang Wang , Zhihui Li , Mengzhi Zhi , Anchao Zhang , Zhijun Sun , Xinmin Zhang , Haibin Si , Zhijian Hu , Ruiguang Hu","doi":"10.1016/j.ces.2025.121630","DOIUrl":"10.1016/j.ces.2025.121630","url":null,"abstract":"<div><div>This study presents a multi-objective optimization of a helical-roof inlet fine coal separator using computational fluid dynamics (CFD) and a modified Non-dominated Sorting Genetic Algorithm II. Five critical geometric parameters were investigated: vortex finder diameter (D<sub>e</sub>/D), cone tip diameter (D<sub>t</sub>/D), cone height (H<sub>c</sub>/D), exhaust pipe insertion length (H<sub>in</sub>/D), and inlet velocity (v). Response surface methodology revealed that increasingD<sub>e</sub>/Dreduces pressure drop but risks lower efficiency, while largerH<sub>c</sub>/Denhances particle residence time and efficiency at the cost of higher pressure drop. Interactions betweenD<sub>e</sub>/DandH<sub>in</sub>/D significantly influenced flow stability. The optimal configuration (D<sub>e</sub>/D = 0.54,D<sub>t</sub>/D = 0.39,H<sub>c</sub>/D = 4.00,H<sub>in</sub>/D = 1.31,v = 12.37 m/s) yielded a 23.96 % reduction in pressure drop and 13.61 % improvement in separation efficiency compared to the reference model. CFD validation confirmed the accuracy of the optimized solutions, providing insights for balancing energy consumption and separation performance in industrial separators.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"311 ","pages":"Article 121630"},"PeriodicalIF":4.1,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143789823","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

Low-temperature one-step synthesis of cerium doped ZnO nanoparticles for antibacterial application

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-06 DOI: 10.1016/j.ces.2025.121628

Hao Zhang , Wenwen Zhou , Xiang Yi , Keyu Chen , Zhifeng Ao , Yuan Gao , Peiqin Wang , Zhongting Hu , Wenhong Xu , Zhigang Shen

{"title":"Low-temperature one-step synthesis of cerium doped ZnO nanoparticles for antibacterial application","authors":"Hao Zhang , Wenwen Zhou , Xiang Yi , Keyu Chen , Zhifeng Ao , Yuan Gao , Peiqin Wang , Zhongting Hu , Wenhong Xu , Zhigang Shen","doi":"10.1016/j.ces.2025.121628","DOIUrl":"10.1016/j.ces.2025.121628","url":null,"abstract":"<div><div>Inorganic antibacterial materials, particularly ZnO nanoparticles, exhibit significant potential in combating bacterial infections due to their good biocompatibility, chemical stability and low toxicity. However, the tedious synthesis process and low separation efficiency of photogenerated carriers are two major challenges for ZnO nanoparticles to be widely deployed. In this study, a microchannel reactor was employed for the one-step synthesis of ZnO based nanoparticles in low-temperature (below 85 °C) aqueous-phase. Moreover, by in-situ doping the ZnO structure with 10 mol% cerium (10Ce-ZnO), the higher charge separation efficiency and better broad-spectrum antibacterial properties were observed compared to pure ZnO nanoparticles. Thanks to the scale-up production, 10Ce-ZnO nanoparticles can be put into real life application as ceramic glaze additives (1 wt%) and achieve 99.99 % bactericidal properties against Gram-negative and Gram-positive bacteria. Last but not least, an in-depth analysis of the interaction mechanisms between the material and bacteria was conducted.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"311 ","pages":"Article 121628"},"PeriodicalIF":4.1,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143784770","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

Solvent-free one-step simple synthesis of N, O-doped microporous carbon using K2CO3 as an activation agent and their application to CO2 capture: Synergistic effect of pore structure and nitrogen–oxygen functional groups

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-05 DOI: 10.1016/j.ces.2025.121615

Ratchadaporn Kueasook, Peixin Wang, Hongyu Chen, Peng He, Zheng Zeng, Xiang Xu, Liqing Li

{"title":"Solvent-free one-step simple synthesis of N, O-doped microporous carbon using K2CO3 as an activation agent and their application to CO2 capture: Synergistic effect of pore structure and nitrogen–oxygen functional groups","authors":"Ratchadaporn Kueasook, Peixin Wang, Hongyu Chen, Peng He, Zheng Zeng, Xiang Xu, Liqing Li","doi":"10.1016/j.ces.2025.121615","DOIUrl":"10.1016/j.ces.2025.121615","url":null,"abstract":"<div><div>Preparing N, O-doped microporous carbons requires a multi-step process, which is expensive and time-consuming. The preparation methods presented in this work are easy, solvent-free, and more sustainable, using sugarcane bagasse as a carbon precursor, melamine as a nitrogen source, potassium carbonate as an activator, and carbonization at a low temperature. The prepared carbons (BMK-1) showed the highest CO<sub>2</sub> adsorption performance (3.24 mmol/g at 25°C and 4.90 mmol/g at 0°C, 1 bar). An in-depth study was performed to analyze the influence of narrow microporeswith different pore ranges and nitrogen–oxygen atoms doping on CO<sub>2</sub> adsorption performance. GCMC simulations and weak interaction analyses showed that a pore size ofapproximately 0.7 nm is suitable for CO<sub>2</sub> adsorption. The existence of nitrogen–oxygen groups enhanced the Van der Waal interaction between samples and CO<sub>2</sub> molecules. It showed that the pore structure and nitrogen–oxygen group are synergistic factors contributing to CO<sub>2</sub> adsorption properties.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"311 ","pages":"Article 121615"},"PeriodicalIF":4.1,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143782869","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

Metal-free catalysts for hydrogen peroxide production with electrocatalysis and photocatalysis

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-05 DOI: 10.1016/j.ces.2025.121621

Qing Hu, Maocong Hu, Zhenhua Yao

引用次数: 0

Wall-sliding bubbles in inclined turbulent channel flow 倾斜紊流通道流中的壁面滑动气泡

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-05 DOI: 10.1016/j.ces.2025.121631

Dongik Yoon, Hyun Jin Park, Yuji Tasaka, Yuichi Murai

引用次数: 0

Thermo-economic analysis of blending hydrogen into natural gas pipeline with gaseous inhibitors for sustainable hydrogen transportation

IF 4.1 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-05 DOI: 10.1016/j.ces.2025.121619

Laveet Kumar, Ahmad K. Sleiti, Wahib A. Al-Ammari

{"title":"Thermo-economic analysis of blending hydrogen into natural gas pipeline with gaseous inhibitors for sustainable hydrogen transportation","authors":"Laveet Kumar, Ahmad K. Sleiti, Wahib A. Al-Ammari","doi":"10.1016/j.ces.2025.121619","DOIUrl":"10.1016/j.ces.2025.121619","url":null,"abstract":"<div><div>Hydrogen transportation through a new pipeline poses significant economic barriers and blending hydrogen into existing natural gas pipelines offers promising alternative. However, hydrogen’s low energy density and potential material compatibility challenges necessitate modifications to existing infrastructure. This study conducts a comprehensive thermo-economic analysis of natural gas and hydrogen mixtures with and without gaseous inhibitors, evaluating the impact on thermophysical properties (Wobbe index, density, viscosity, energy density, higher and lower heating values), compression power, economic feasibility and storage volume requirement. A pipeline transmission model was developed in Aspen HYSYS to assess these properties, considering major and minor infrastructure modifications. The findings suggest that the addition of 5% carbon monoxide and 2% ethylene as gaseous inhibitors in maintaining desired properties, ensuring compatibility with existing infrastructure and operational processes. The findings also indicate that blending 30% hydrogen increases storage volume by 30–55% while reducing higher and lower heating values by 20–25%. However, the addition of 5% carbon monoxide and 2% ethylene improves the pipeline performance and reduces the carbon emissions by 23–26%, supporting the transition to low-carbon energy systems. The results suggest that hydrogen blending is viable under specific infrastructure modifications, providing critical insights for optimizing pipeline repurposing for sustainable hydrogen transportation.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"311 ","pages":"Article 121619"},"PeriodicalIF":4.1,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143782872","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

Disilane synthesis by dielectric barrier discharge of gas-phase silane: Experimental test and computational simulation

IF 4.7 2区工程技术

Chemical Engineering Science Pub Date : 2025-04-05 DOI: 10.1016/j.ces.2025.121620

Jianpeng Wu, Xiangjun Meng, Lingjun Ma, Jiangtao Zhu, Yafeng Wang, Lin He, Xingang Li

{"title":"Disilane synthesis by dielectric barrier discharge of gas-phase silane: Experimental test and computational simulation","authors":"Jianpeng Wu, Xiangjun Meng, Lingjun Ma, Jiangtao Zhu, Yafeng Wang, Lin He, Xingang Li","doi":"10.1016/j.ces.2025.121620","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121620","url":null,"abstract":"Disilane synthesis has garnered significant interest due to its potential applications in fields such as materials science and semiconductor technology. Dielectric barrier discharge of silane offers a promising method for the industrial production of disilane. Herein, a newly designed experimental device has been applied to facilitate the direct synthesis of disilane through silane plasma reactions under atmospheric pressure. The effects of operational parameters, including inert gas, gas flow rate, composition, and medium type, on the reaction have been systematically investigated. After optimization, it is found that the number density ratio of disilane to silane could reach 10%. To elucidate the underlying reaction mechanism, a silane plasma discharge model is developed using COMSOL Multiphysics software. The simulation results of gas-phase silane discharge reactions are proved by the experimental tests. These findings would provide insights and fundamental to the development of green, safe, and efficient processes for disilane synthesis via silane discharge.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"6 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143784773","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