Chemical Engineering Journal最新文献

筛选
英文 中文
Digital electronics-free implantable drug delivery system for on-demand therapy
IF 15.1 1区 工程技术
Chemical Engineering Journal Pub Date : 2024-12-19 DOI: 10.1016/j.cej.2024.158763
Jiarong Hu, Jingbo Zhang, Yufei Hou, Congsun Li, Weinan Yang, Jianzhong Fu, Songyu Hu, An Liu, Yong He
{"title":"Digital electronics-free implantable drug delivery system for on-demand therapy","authors":"Jiarong Hu, Jingbo Zhang, Yufei Hou, Congsun Li, Weinan Yang, Jianzhong Fu, Songyu Hu, An Liu, Yong He","doi":"10.1016/j.cej.2024.158763","DOIUrl":"https://doi.org/10.1016/j.cej.2024.158763","url":null,"abstract":"Electronic-free implantable drug delivery systems (IDDSs) enables direct and biocompatible drug delivery at the lesion site, holding immense potential to treat a variety of diseases. However, this “electronics-free” feature prevents such systems from utilizing conventional electromechanical or microelectromechanical technologies, making the controllability of drug release inherently deficient. To address this issue, we propose a digital IDDS for on-demand local drug delivery <em>in vivo</em>. Quantitative drugs are encapsulated in the drug capsules by using 3D printing to keep the drug in an accurate and viable state. These capsules are then stored in a multi-reservoir implantable drug delivery device (IDDD) and implanted subcutaneously. The IDDD can be magnetically actuated by a robot arm for sequential drug release when required. A noninvasive sensing strategy combining magnetic and force/torque signals is proposed to perceive the pose of the IDDD and the drug delivery state of the drug capsules. Digital drug release is achieved <em>in vitro</em> and <em>in vivo</em> experiments. The experimental results on the animal model of disuse osteoporosis showed that compared with systemic injection and local sustained-release methods, our approach can produce better therapeutic effects with lower doses. This innovative IDDS holds potential to realize automated and efficient therapy in clinic settings.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"55 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142857815","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Paper-like foldable shape memory wood actuator with consecutive gesture programming by water and thermal dual stimuli for soft robots
IF 15.1 1区 工程技术
Chemical Engineering Journal Pub Date : 2024-12-19 DOI: 10.1016/j.cej.2024.158515
Linze Jin, Han Xu, Junxiu Piao, Yuhui Meng, Xiaoran Yang, Lifu Zhang, Zitian Zhang, Chengming Jiang, Sheng Bi
{"title":"Paper-like foldable shape memory wood actuator with consecutive gesture programming by water and thermal dual stimuli for soft robots","authors":"Linze Jin, Han Xu, Junxiu Piao, Yuhui Meng, Xiaoran Yang, Lifu Zhang, Zitian Zhang, Chengming Jiang, Sheng Bi","doi":"10.1016/j.cej.2024.158515","DOIUrl":"https://doi.org/10.1016/j.cej.2024.158515","url":null,"abstract":"In recent years, smart shape memory materials have garnered significant attention for their potential applications in flexible electronics. However, the exploration of wood, a natural polymer with shape memory capabilities, has been limited, particularly concerning its editable and controllable memory shapes and moveable functions. This study presents a shape memory wood actuator (SMWA) with dual activation capabilities through water and heat. The SMWA is developed by connecting the treated wood with PDMS and LCE for consecutive gesture programming. The controlled contraction of LCE upon thermal activation, combined with strength changes due to reversible hydrogen bonding in the cellulose amorphous region during water activation, enables the SMWA to exhibit continuous shape memory capabilities and programmability. Additionally, the SMWA demonstrates satisfactory mechanical performance (tensile strength of 17.3 MPa when dry and 4.4 MPa when wet) and shape recovery capabilities (over 80 % shape recovery). Notably, the rigidity/flexibility change of SMWA under water-activated conditions, coupled with heat-activated posture control and memory through built-in circuits, allows for practical applications such as object grasping. Such efficient strategy offers a guideline for developing high- performance smart wooden shape memory materials, with promising prospects for applications in soft robotics, flexible sensors and oil–water separation.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"92 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Enhanced tribo-corrosion resistance of biocompatible TiNbTaZrWC coating through intelligent design strategy
IF 15.1 1区 工程技术
Chemical Engineering Journal Pub Date : 2024-12-18 DOI: 10.1016/j.cej.2024.158740
Chengzuan Gao, Feng Xu, Xianqing Shi, Wenxuan Zhao, Qian Zhou, Liu Yuan, Qichen Zhan, Dunwen Zuo
{"title":"Enhanced tribo-corrosion resistance of biocompatible TiNbTaZrWC coating through intelligent design strategy","authors":"Chengzuan Gao, Feng Xu, Xianqing Shi, Wenxuan Zhao, Qian Zhou, Liu Yuan, Qichen Zhan, Dunwen Zuo","doi":"10.1016/j.cej.2024.158740","DOIUrl":"https://doi.org/10.1016/j.cej.2024.158740","url":null,"abstract":"High-entropy carbides have exceptional properties, making them ideal for applying protective coatings on medical tools. This study selected Ti, Zr, Nb, Ta, and W elements as the design space based on their biocompatibility and corrosion resistance. Machine learning was used to optimize the composition ratio of TiNbTaZrWC coating, focusing on improving wear resistance. The TiNbTaZrWC coating with a hardness of 29.31 GPa was successfully deposited on the surface of 316L substrate using pulsed DC magnetron sputtering technology. The TiNbTaZrWC coating exhibited excellent wear resistance and lubricating properties in the simulated body fluid. Due to its dense microstructure and excellent corrosion resistance, the TiNbTaZrWC coating prevented the release of metal ions from the 316L substrate and exhibited good biocompatibility","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"20 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142840792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
The tandem cracking-oxidation of phthalate esters with high CO2 selectivity and reduced energy cost
IF 15.1 1区 工程技术
Chemical Engineering Journal Pub Date : 2024-12-18 DOI: 10.1016/j.cej.2024.158653
Tao Wei, Dezhen Zhang, Zicheng Wang, Zihan Zhou, Tapiwanashe Shumba, Yangqi Jiang, Shangpu Zhuang, Mifen Cui, Patrick G. Ndungu, Jihai Tang, Zhuxiu Zhang, Xu Qiao
{"title":"The tandem cracking-oxidation of phthalate esters with high CO2 selectivity and reduced energy cost","authors":"Tao Wei, Dezhen Zhang, Zicheng Wang, Zihan Zhou, Tapiwanashe Shumba, Yangqi Jiang, Shangpu Zhuang, Mifen Cui, Patrick G. Ndungu, Jihai Tang, Zhuxiu Zhang, Xu Qiao","doi":"10.1016/j.cej.2024.158653","DOIUrl":"https://doi.org/10.1016/j.cej.2024.158653","url":null,"abstract":"Gaseous phthalate ester (PAEs) pollutants pose a significantly high risk of environmental exposure and present a serious threat to human health. We developed the CuO@Hol-HZSM-5 catalyst with spatially isolated cracking-oxidation dual active sites for the oxypyrolysis treatment of di(2-ethylhexyl)/dioctyl/dibutyl phthalates (DEHP, DOP, DBP). DOP is an isomer of DEHP, and both of them exhibit the conversion and CO<sub>2</sub> selectivity of ca. 99 % at 375 ℃ and 20000 h<sup>−1</sup>. DBP with smaller molecular size achieves comparable conversion and CO<sub>2</sub> selectivity even at a low temperature 350 °C and high space velocity 30000 h<sup>−1</sup>. DFT studies, in-situ DRIFTS and GC–MS reveal the synergy of Brønsted acid sites and oxidation active sites for the DEHP decomposition. The reaction process is initiated by protonic acid-catalyzed hydrolysis over the CuO@Hol-HZSM-5 surface, yielding phthalic acid and 2-ethylhexanol as key intermediates. 2-Ethylhexanol undergoes a protonic acid-catalyzed tandem dehydration-β-scission reaction, generating low-molecular-weight alkenes such as ethylene and propylene. Low-molecular-weight alkenes and benzene from direct decarboxylation of phthalic acid or hydration-decarboxylation of phthalic anhydride are then converted to CO<sub>2</sub> and H<sub>2</sub>O over CuO nanoparticles. Pilot-scale equipment was developed for the oxypyrolysis treatment of DEHP desorption gas. The exothermic energy from the cracking-oxidation reaction is re-utilized via an integrated heat exchanger to preheat the fresh air for thermal desorption. The COD of the outlet condensates was 26.86–45.96 mg/L, which is below the national wastewater discharge standards. The operation cost of the thermal desorption-oxypyrolysis process is €16.77/ton<sub>sorbent</sub>, which outperforms the traditional method.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"13 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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-low volatility solid polyamine CO2 capture materials for greenhouse CO2 enrichment
IF 15.1 1区 工程技术
Chemical Engineering Journal Pub Date : 2024-12-18 DOI: 10.1016/j.cej.2024.158741
Cameron White, Zhijian Wan, Colin Wood, Jason Czapla
{"title":"Ultra-low volatility solid polyamine CO2 capture materials for greenhouse CO2 enrichment","authors":"Cameron White, Zhijian Wan, Colin Wood, Jason Czapla","doi":"10.1016/j.cej.2024.158741","DOIUrl":"https://doi.org/10.1016/j.cej.2024.158741","url":null,"abstract":"Yields from agriculture can be enhanced by maintaining elevated CO<sub>2</sub> environments typically in the range of 1000 ppm CO<sub>2</sub>. Technologies that have the potential to supply these elevated CO<sub>2</sub> levels in a carbon neutral manner can improve agricultural yields whilst mitigating further CO<sub>2</sub> emissions. Direct air capture (DAC) is one such technology that captures and concentrates CO<sub>2</sub> from the atmosphere. Most current DAC research focuses on producing high concentrations of CO<sub>2</sub> which typically requires high temperature/pressure swings in order to achieve high purity CO<sub>2</sub> streams. These conditions complicate plant design and affect the longevity of the material. This study explores the possibility of producing CO<sub>2</sub> at suitable concentrations for agricultural yield enhancement using mild desorption conditions (50 °C and no pressure swing). A novel crosslinked polyamine formula utilising non-hazardous liquid components was developed in order to be more aligned to agricultural exposure limits. 1000 ppm CO<sub>2</sub> could be maintained during desorption with air flow at 50 °C (with no vacuum) for up to 70 % of the materials working capacity of 3.8 wt% CO<sub>2</sub>. The longevity of the material was enhanced due to the lower desorption temperature as evidenced by no reduction in working capacity after 30 days exposure to desorption conditions (equivalent to 205 cycles).Compared to a previous work utilising the commercially available Lewatit VP OC 1065, the Lewatit resin had a repeated cyclic uptake of 4.1% wt. % CO<sub>2</sub> compared to 3.8 wt% for the polymer used in this study.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"61 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Overcoming radiation-induced PD-L1 upregulation by novel gadolinium-palladium nanoplatforms for enhanced tumor radio-immunotherapy
IF 15.1 1区 工程技术
Chemical Engineering Journal Pub Date : 2024-12-18 DOI: 10.1016/j.cej.2024.158754
Kai Guo, Hui Liu, Mengmeng Zhang, Nengyi Ni, Mengyao Mu, Ke Ren, Jiahui Chen, Qing Fan, Xueli Xu, Xiao Sun, Ximing Wang
{"title":"Overcoming radiation-induced PD-L1 upregulation by novel gadolinium-palladium nanoplatforms for enhanced tumor radio-immunotherapy","authors":"Kai Guo, Hui Liu, Mengmeng Zhang, Nengyi Ni, Mengyao Mu, Ke Ren, Jiahui Chen, Qing Fan, Xueli Xu, Xiao Sun, Ximing Wang","doi":"10.1016/j.cej.2024.158754","DOIUrl":"https://doi.org/10.1016/j.cej.2024.158754","url":null,"abstract":"Low-dose radiotherapy can lead to upregulation of PD-L1 expression in tumor cells, limiting the effectiveness of radio-immunotherapy. Currently, anti-PD-L1 drugs only disrupt the interaction of the PD-1/PD-L1 axis on the cell surface, without considering the immune regulatory ability of intracellular PD-L1. Additionally, antibody-bound PD-L1 can lead to internalization and recycling, allowing tumor cells to regain immune suppression. In this study, a novel PD-L1-affibody (Z<sub>PD-L1</sub>)-grafted gadolinium-palladium nanoplatform incorporated with glucose oxidase (GOx) (GPGP) was fabricated to improve tumor-targeted magnetic resonance imaging (MRI) and synergistic radio-immunotherapy. GPGP with catalase- and peroxidase-like activity could catalyze the generation of oxygen to relieve tumor hypoxia and the generation of •OH to boost ferroptosis, respectively. GOx could enhance the nanoplatform’s dual nanozyme activity in a cascade, further sensitizing radiotherapy and intensifying subsequent immunogenic cell death. Crucially, GPGP induced AMPK phosphorylation and downregulated CMTM6, inhibiting intracellular PD-L1 production and blocking its transport to the cell membrane, thereby overcoming low-dose radiotherapy-induced PD-L1 upregulation. Systemic delivery of GPGP also demonstrated notable MRI contrast enhancement, providing precise imaging guidance for determining the optimal timing for radiotherapy. Therefore, GPGP has shown great potential in achieving effective MRI and collaborative tumor radio-immunotherapy.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"1 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849647","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Covalent organic framework-based materials for ion separation: A review
IF 15.1 1区 工程技术
Chemical Engineering Journal Pub Date : 2024-12-18 DOI: 10.1016/j.cej.2024.158745
Ahmad Reza Bagheri, Hongli Su, Ardeshir Shokrollahi, Akbar Samadi, Chengwen Song, Lingxue Kong, Shouliang Yi, Shuaifei Zhao
{"title":"Covalent organic framework-based materials for ion separation: A review","authors":"Ahmad Reza Bagheri, Hongli Su, Ardeshir Shokrollahi, Akbar Samadi, Chengwen Song, Lingxue Kong, Shouliang Yi, Shuaifei Zhao","doi":"10.1016/j.cej.2024.158745","DOIUrl":"https://doi.org/10.1016/j.cej.2024.158745","url":null,"abstract":"Separation and purification of valuable ions from water is an area of interest to deal with environmental pollution and energy crisis. Although various materials have been developed for the recovery of ions, they still face some drawbacks, such as low separation efficiency and low ion selectivity. As a class of emerging materials, covalent organic frameworks (COFs) have garnered enormous attention for the extraction and separation of ions from water sources. Compared with polymeric membranes, COFs have higher porosity and crystallinity, higher physical and chemical stability, and better functionality. Moreover, they show high specific surface areas and excellent adsorption capacities. This review discusses the properties, synthesis, fabrication and modification of COF-based materials (<em>e.g</em>., adsorbents and membranes). Different parameters affecting the performance of COF-based materials, including pore size, stability, and hydrophilicity/hydrophobicity are assessed. Moreover, the possible mechanisms for ion extraction and separation using COF-based materials are investigated. Finally, the advances, challenges, and prospects in developing COF-based materials with desirable properties for ions extraction and separation are assessed. This review provides significant insights into developing the next generation of high-performance COF-based adsorbents and membranes for sustainable ion separation and extraction.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"23 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Passive thermal regulation using a phase change material for chemical-loop reverse water–gas shift reaction
IF 15.1 1区 工程技术
Chemical Engineering Journal Pub Date : 2024-12-18 DOI: 10.1016/j.cej.2024.158558
Koji Takizawa, Dasanayake Aluthge Rasika Sanjeew, Noritoshi Yagihashi, Kengo Mimura, Yuto Shimizu, Melbert Jeem, Takahiro Nomura
{"title":"Passive thermal regulation using a phase change material for chemical-loop reverse water–gas shift reaction","authors":"Koji Takizawa, Dasanayake Aluthge Rasika Sanjeew, Noritoshi Yagihashi, Kengo Mimura, Yuto Shimizu, Melbert Jeem, Takahiro Nomura","doi":"10.1016/j.cej.2024.158558","DOIUrl":"https://doi.org/10.1016/j.cej.2024.158558","url":null,"abstract":"The chemical-loop reverse water–gas shift reaction (CL-RWGS), a two-step CO<sub>2</sub> hydrogenation process where H<sub>2</sub> oxidation and CO<sub>2</sub> reduction occur, can overcome the equilibrium limitations of the RWGS reaction and achieve high CO<sub>2</sub> to CO conversion efficiencies. When this process is performed in a fixed-bed reactor, the oxide undergoes continuous in situ exothermic and endothermic reactions accompanied by severe temperature fluctuations that decrease the gas conversion efficiency. Therefore, the introduction of thermal regulation technology is of particular importance in the CL-RWGS. In this context, alloy-based microencapsulated phase-change material (MEPCM) are promising thermoregulating media owing to their high latent heat density and chemical stability, which enable thermal regulation through phase changes at a constant temperature. Herein, we propose a heat-storing functional oxygen-storage material based on the use of MEPCM supports. The prepared Fe<sub>2</sub>O<sub>3</sub>/Al-MEPCM achieved a high latent heat (137 J/g) and a good CO production rate (224 µmol/g min<sup>−1</sup>). After 50 redox cycles, the oxygen storage capacity of the Fe<sub>2</sub>O<sub>3</sub>/Al-MEPCM remained above 75 %, and the Al-MEPCM served as a physical barrier to prevent sintering. Furthermore, temperature evaluations in the H<sub>2</sub> reduction mode using Fe<sub>2</sub>O<sub>3</sub>/Al-MEPCM showed that the temperature decreased by ∼ 80 °C in the absence of latent heat, whereas it remained constant at ∼ 640 °C in the presence of latent heat. Moreover, the latent heat (∼2940 J) was sufficiently large compared to the heat absorption (∼1809 J). The strategy of combining MEPCMs and oxygen storage materials for thermal regulation of the CL process therefore appears to have great potential for application in industrial processes.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"11 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142840795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Enhancing Na+ transport in single atomic Fe-anchored hierarchical porous carbon anode in SIB: Implanting high energy azole 增强 SIB 中单原子铁锚层状多孔碳阳极的 Na+ 传输:植入高能量唑
IF 15.1 1区 工程技术
Chemical Engineering Journal Pub Date : 2024-12-18 DOI: 10.1016/j.cej.2024.158742
Zhuo Chen, Xing Lu, Yanan Zhang, Xingxing Zhang, Ke Zhang, Yang Shi, Tao Zhang, Shun Wang, Yali Li, Hong Wang, Wenhuan Huang
{"title":"Enhancing Na+ transport in single atomic Fe-anchored hierarchical porous carbon anode in SIB: Implanting high energy azole","authors":"Zhuo Chen, Xing Lu, Yanan Zhang, Xingxing Zhang, Ke Zhang, Yang Shi, Tao Zhang, Shun Wang, Yali Li, Hong Wang, Wenhuan Huang","doi":"10.1016/j.cej.2024.158742","DOIUrl":"https://doi.org/10.1016/j.cej.2024.158742","url":null,"abstract":"Developing highly porous carbon materials with abundant active sites is a promising strategy for creating high-performance anodes in sodium-ion batteries (SIBs). However, achieving a balance between high porosity and uniform active site dispersion remains challenging. In this study, we implanted high-energy N4-tetrazole rings to construct Fe single atoms anchored within a hierarchical porous nitrogen-rich carbon sponge. As an anode in SIBs, this material demonstrated an impressive reversible capacity of 249.4 mAh g<sup>−1</sup> at 0.2 A g<sup>−1</sup> after 1000 cycles, with coulombic efficiency of 99.7 %, and exhibited excellent rate performance with a reversible capacity of 107.3 mAh g<sup>−</sup>1 at 1 A g<sup>−</sup>1. Density of states (DOS) calculations revealed that doping with Fe and N atoms significantly enhances the material’s electrical conductivity. Additionally, the abundant pores in Fe@N<sub>4</sub> enable rapid Na<sup>+</sup> insertion/extraction and diffusion. The transport kinetics of the anode material at the battery interface were further elucidated using in situ electrochemical impedance spectroscopy (in situ EIS).","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"88 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Robust pore-resolved CFD through porous monoliths reconstructed by micro-computed tomography: From digitization to flow prediction
IF 15.1 1区 工程技术
Chemical Engineering Journal Pub Date : 2024-12-18 DOI: 10.1016/j.cej.2024.158577
Olivier Guévremont, Lucka Barbeau, Vaiana Moreau, Federico Galli, Nick Virgilio, Bruno Blais
{"title":"Robust pore-resolved CFD through porous monoliths reconstructed by micro-computed tomography: From digitization to flow prediction","authors":"Olivier Guévremont, Lucka Barbeau, Vaiana Moreau, Federico Galli, Nick Virgilio, Bruno Blais","doi":"10.1016/j.cej.2024.158577","DOIUrl":"https://doi.org/10.1016/j.cej.2024.158577","url":null,"abstract":"Porous media are ubiquitous in energy storage and conversion, catalysis, biomechanics, hydrogeology, as well as many other fields. These materials possess high surface-to-volume ratios and their complex channels can restrict and guide the flow. However, optimizing design parameters for specific applications remains challenging due to the intricate structure of porous media. Pore-resolved CFD reveals the effects of their structure on flow characteristics, but is limited by the performance of mesh generation algorithms for such complex geometries. To alleviate this issue, we use a sharp immersed boundary method which enables usage of Cartesian, non-conformal grids, within a massively parallel finite element framework. This method preserves the order convergence of the scheme and allows for adaptive mesh refinement (AMR). We introduce a radial basis function-based representation of solids that allows to solve the flow through complex geometries with precision. We verify the method using the method of manufactured solutions. We validate it using pressure drop measurements through porous silicone monoliths digitized by X-ray computed microtomography, for pore Reynolds numbers up to 30. Simulations are conducted using grids of 200 M cells distributed over 8 k cores, which would require 16 times more cells without AMR. Results reveal that pore network structure is the principal factor describing pressure evolution and that preferential channels are dominant at this scale. In this work, we demonstrate a robust and efficient workflow for pore-resolved simulations of porous monoliths. This work bridges the gap between sub-millimetric flow and macroscopic properties, which will open the door to design and optimize processes through the usage of physics-based digital twins of complex porous media.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"260 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信