Korean Journal of Chemical Engineering最新文献

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Fabrication Methods of Microneedles with Polymeric Materials 高分子材料制备微针的方法
IF 2.9 4区 工程技术
Korean Journal of Chemical Engineering Pub Date : 2024-10-24 DOI: 10.1007/s11814-024-00314-y
Hyewon Choi, Hyein Seo, Hyunsik Yoon
{"title":"Fabrication Methods of Microneedles with Polymeric Materials","authors":"Hyewon Choi,&nbsp;Hyein Seo,&nbsp;Hyunsik Yoon","doi":"10.1007/s11814-024-00314-y","DOIUrl":"10.1007/s11814-024-00314-y","url":null,"abstract":"<div><p>In the biomedical industry, microneedles have gained significant attention as a painless method for dermal and transdermal drug delivery. Depending on their intended use, microneedles can be fabricated in various sizes, shapes, and materials. To enhance skin permeability, versatile microneedles have been developed using a range of microfabrication technologies. This review focuses on the fabrication methods of microneedles made from polymeric materials, which are favored for microscale fabrication due to their ease of processing. Additionally, we discuss methods to improve the robustness of polymeric microneedles by coating them with metallic films or inorganic nanoparticles.</p></div>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"42 1","pages":"1 - 11"},"PeriodicalIF":2.9,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142906080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Recent Developments in Near-Infrared-II Luminescence Imaging Using Inorganic Nanoparticles: Semiconductor Quantum Dots and Lanthanide Nanoparticles 利用无机纳米粒子进行近红外-II 发光成像的最新进展:半导体量子点和镧系元素纳米粒子
IF 2.9 4区 工程技术
Korean Journal of Chemical Engineering Pub Date : 2024-10-23 DOI: 10.1007/s11814-024-00300-4
Jeong Geun Kim, Hyeon Jung Yu, Ruda Lee, Yong Il Park
{"title":"Recent Developments in Near-Infrared-II Luminescence Imaging Using Inorganic Nanoparticles: Semiconductor Quantum Dots and Lanthanide Nanoparticles","authors":"Jeong Geun Kim,&nbsp;Hyeon Jung Yu,&nbsp;Ruda Lee,&nbsp;Yong Il Park","doi":"10.1007/s11814-024-00300-4","DOIUrl":"10.1007/s11814-024-00300-4","url":null,"abstract":"<div><p>Fluorescence imaging finds extensive application in cellular and small animal studies due to its superior temporal and spatial resolution. However, fluorescence imaging using visible light faces limitations such as shallow tissue penetration, phototoxicity from excitation sources, and compromised detection sensitivity owing to background autofluorescence interference. To address these issues, researchers have explored longer wavelength light, particularly near-infrared-I (NIR-I) in the 700–900 nm range. Moreover, there is growing interest in exploiting NIR-II light, which spans the 1000–1700 nm range, to enhance the detection sensitivity, resolution, and tissue-penetration depth. In the NIR-II region, light scattering is minimized, thus enabling deeper tissue penetration of up to ~ 10 mm, along with reduced tissue autofluorescence. This facilitates high-sensitivity and high-resolution fluorescence imaging. The present review highlights inorganic nanoparticle-based imaging probes characterized by exceptional photostability and easily tunable emission wavelengths, including quantum dots and lanthanide nanoparticles. Specifically, recent advancements in improving the luminescence efficiency of NIR-II quantum dots and lanthanide nanoparticles, tuning the emission wavelengths to longer ranges, and designing stimuli-responsive mechanisms for precise targeted imaging are discussed.</p></div>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"41 13","pages":"3603 - 3619"},"PeriodicalIF":2.9,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142636693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Ferrocyanide-Surface Ligands to Quantum Dots for Prussian Blue Composites Showing Efficient and Reversible Electrochemical Response 用于普鲁士蓝复合材料的亚铁氰化铁表面配体与量子点,显示出高效和可逆的电化学响应
IF 2.9 4区 工程技术
Korean Journal of Chemical Engineering Pub Date : 2024-10-21 DOI: 10.1007/s11814-024-00302-2
Taeyong Ha, Yunmo Sung, Yongju Kwon, Sukyung Choi, Ho Jin, Sungjee Kim
{"title":"Ferrocyanide-Surface Ligands to Quantum Dots for Prussian Blue Composites Showing Efficient and Reversible Electrochemical Response","authors":"Taeyong Ha,&nbsp;Yunmo Sung,&nbsp;Yongju Kwon,&nbsp;Sukyung Choi,&nbsp;Ho Jin,&nbsp;Sungjee Kim","doi":"10.1007/s11814-024-00302-2","DOIUrl":"10.1007/s11814-024-00302-2","url":null,"abstract":"<div><p>We employed a novel approach to fabricate quantum dot-in-Prussian blue analogue (QD-in-PBA) composites, encapsulating colloidal QDs into the electrical conducting metal organic framework PBA, which could provide a robust platform for efficient photochemical modulation of photoluminescence (PL) intensity. To achieve this, the surface of the QDs was engineered by attaching ferrocyanide ligands. This surface modification enabled the QDs to be seamlessly and uniformly incorporated into the PBA matrix. The ferrocyanide ligands on the QD surfaces played a pivotal role in initiating the <i>in-situ</i> formation of PBA, facilitated by the introduction of additional ferrocyanide ions and iron (III) ions as the building blocks of PBA. Alternatively applied external voltages to the QD-in-PBA electrode within an electrochemical cell demonstrated the reversible quenching and recovery of the PL intensity of the QDs embedded within the QD-in-PBA composite. Notably, we achieved the on/off modulation ratio over 7, which could be consistently repeated across multiple cycles. In contrast, the control sample, comprising a mixture of QDs and PBA, exhibited poor stability in terms of electrochemical performance, with a reduced modulation degree observed over repeating cycles. This diminished stability can be attributed to the fact that in the control sample, the QDs were merely attached to the surface of the PBA rather than being fully incorporated within the matrix and became redispersed into the electrolyte solution during the electrochemical reactions.</p></div>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"41 13","pages":"3449 - 3459"},"PeriodicalIF":2.9,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142636703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Maximizing the Yield of Saturated Hydrocarbons from Hydroprocessing of Used Cooking Oil by Control of Oligomer Formation 通过控制低聚物的形成来最大限度地提高废食用油加氢加工中饱和烃的产量
IF 2.9 4区 工程技术
Korean Journal of Chemical Engineering Pub Date : 2024-10-21 DOI: 10.1007/s11814-024-00312-0
Hyerim Ko, Soo Hyun Kim, Eunki Hong, Jin-Kuk Kim, Young-Woong Suh
{"title":"Maximizing the Yield of Saturated Hydrocarbons from Hydroprocessing of Used Cooking Oil by Control of Oligomer Formation","authors":"Hyerim Ko,&nbsp;Soo Hyun Kim,&nbsp;Eunki Hong,&nbsp;Jin-Kuk Kim,&nbsp;Young-Woong Suh","doi":"10.1007/s11814-024-00312-0","DOIUrl":"10.1007/s11814-024-00312-0","url":null,"abstract":"<div><p>The feedstock for the process of hydroprocessed esters and fatty acids (HEFA) is being shifted to renewable waste and residues, e.g., used cooking oil (UCO) containing (un)saturated triacylglycerides (TAG), polar substances including diacylglycerides (DAG), monoacylglycerides (MAG) and free fatty acids (FFA), and dimeric/oligomeric products. However, the yield of saturated hydrocarbons during hydroprocessing of refined UCO (r-UCO) can be lowered by the formation of oligomers via double bonds present in unsaturated TAG and via those produced by dehydration of hydroxy groups of MAG and DAG and β-elimination of (un)saturated TAG. Herein we attempted firstly to remove polar substance from the r-UCO through liquid–liquid extraction and secondly to pre-hydrogenate unsaturated fatty acid chains before the main hydroprocessing reaction. The first attempt was effective for reduced oligomer formation in batch-mode experiments but not in continuous-flow ones. The other attempt was to prove very successful in both modes of experiments regardless of the presence of polar substances in r-UCO; thus, continuous-flow hydroprocessing of r-UCO could be sustained for 100 h without oligomer formation. Consequently, coupling pre-hydrogenation with main hydroprocessing is very powerful in maximizing the yield of hydrocarbons from the conversion of r-UCO because removing polar substances is meaningful but not economic.</p></div>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"42 1","pages":"57 - 69"},"PeriodicalIF":2.9,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142906067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Preparation of Water-Dispersible Perovskite-Quantum Dots for Biomedical Applications 制备可在水中分散的 Perovskite 量子点用于生物医学应用
IF 2.9 4区 工程技术
Korean Journal of Chemical Engineering Pub Date : 2024-10-19 DOI: 10.1007/s11814-024-00303-1
Sang Bin Yoon, Sukyeong Hwang, Yerin Kim, Bong-Geun Kim, Hyon Bin Na
{"title":"Preparation of Water-Dispersible Perovskite-Quantum Dots for Biomedical Applications","authors":"Sang Bin Yoon,&nbsp;Sukyeong Hwang,&nbsp;Yerin Kim,&nbsp;Bong-Geun Kim,&nbsp;Hyon Bin Na","doi":"10.1007/s11814-024-00303-1","DOIUrl":"10.1007/s11814-024-00303-1","url":null,"abstract":"<p>This review highlights recent advancements in stabilizing perovskite-quantum dots (PQDs) for biomedical applications. PQDs like CsPbBr<sub>3</sub> nanoparticles are promising due to their high photoluminescence-quantum yield, narrow emission linewidth, and ability to control excitation and emission wavelengths, making them suitable for bioimaging and sensing applications. However, their instability in moist and aqueous environments and potential toxicity due to heavy metals like lead pose significant challenges. To address these issues, various surface-modification strategies, including encapsulation, ligand exchange, and phase transfer, have been developed. These methods aim to improve PQD stability and biocompatibility while preserving their optical properties. Encapsulation techniques using polymers, silica, and phospholipids have shown promise in maintaining PQD stability in aqueous solutions. Ligand-exchange strategies with multidentate and multifunctional ligands have enhanced PQD surface binding and hydrophilicity, improving their environmental robustness. Applications such as fluorescence cellular imaging, theragnostics, and immunoassays demonstrate the potential of stabilized PQDs in biomedical applications. Despite these advancements, further research is needed to develop non-toxic PQDs and ensure long-term stability. Continued progress in PQD synthesis and surface modification could lead to significant breakthroughs in biomedical research and clinical diagnostics.</p>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"41 13","pages":"3345 - 3357"},"PeriodicalIF":2.9,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142636676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Heavy-Metal-Free Heterostructured Nanocrystals for Light-Emitting Applications 用于发光应用的无重金属异质结构纳米晶体
IF 2.9 4区 工程技术
Korean Journal of Chemical Engineering Pub Date : 2024-10-17 DOI: 10.1007/s11814-024-00305-z
Yeong Uk Kim, Dae Yun Kim, Ju Won Park, Byeong Guk Jeong
{"title":"Heavy-Metal-Free Heterostructured Nanocrystals for Light-Emitting Applications","authors":"Yeong Uk Kim,&nbsp;Dae Yun Kim,&nbsp;Ju Won Park,&nbsp;Byeong Guk Jeong","doi":"10.1007/s11814-024-00305-z","DOIUrl":"10.1007/s11814-024-00305-z","url":null,"abstract":"<div><p>Rising demands on environmentally benign materials lead to the development of heavy-metal-free NCs for light-emitting applications. Tremendous efforts to solve the challenges of heavy-metal-free NCs have been focused on the discovery of synthetic chemistry and photophysical properties of the NCs. This review provides a comprehensive overview of the progress in the synthesis of heavy-metal-free semiconductor NCs, mainly focusing on III–V, I–III–VI<sub>2</sub>, and II–VI groups. The progress details the discovery of their precursor chemistry and the formation of heterostructures to fit their chemical nature and photophysical properties. The continuous efforts on the structural design and synthetic chemistry reveal how exceptional properties of the NCs materialized. The remarkable progress in photophysical properties and synthetic chemistry on the NCs supports the potential of these NCs in optoelectronic applications, including light-emitting diode (LED) and solar cell, demonstrating their suitability as strong alternatives to Cd and Pb-based NCs. This review offers insights into the remaining challenges of the NCs, directing the future perspectives of the NCs.</p></div>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"41 13","pages":"3303 - 3315"},"PeriodicalIF":2.9,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142636939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Recent Advances in Transfer Printing of Colloidal Quantum Dots for High-Resolution Full Color Displays 用于高分辨率全彩显示屏的胶体量子点转移印刷的最新进展
IF 2.9 4区 工程技术
Korean Journal of Chemical Engineering Pub Date : 2024-10-16 DOI: 10.1007/s11814-024-00301-3
Yunho Kim, Jiwoong Yang, Moon Kee Choi
{"title":"Recent Advances in Transfer Printing of Colloidal Quantum Dots for High-Resolution Full Color Displays","authors":"Yunho Kim,&nbsp;Jiwoong Yang,&nbsp;Moon Kee Choi","doi":"10.1007/s11814-024-00301-3","DOIUrl":"10.1007/s11814-024-00301-3","url":null,"abstract":"<div><p>Quantum dots (QDs) have garnered significant attention in the advanced optoelectronic devices due to their unique luminescent properties, including size-tunable emission, high photoluminescence efficiency, exceptional chromatic purity, and superior photostability. To achieve based high-definition full-color displays, it is critical to develop a precise patterning process capable of accurately depositing red, green, and blue QD subpixels at desired locations with high resolution. Among various patterning techniques, transfer printing has emerged as a promising method for achieving high-definition pixels while preventing cross-contamination between different colored subpixels. This technique involves transferring QD patterns to a target substrate using an elastomeric stamp. This review provides a comprehensive overview of the latest research trends in three types of transfer printing processes: additive-transfer printing, subtractive-transfer printing, and intaglio-transfer printing. We examine the strengths and limitations of each technique and showcase key applications in QD light-emitting diodes that utilize transfer-printed QDs.</p></div>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"41 13","pages":"3469 - 3482"},"PeriodicalIF":2.9,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142636867","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Synthesis of Cu-Supported ZSM-5/UiO-66 Composite Catalysts for Efficient Degradation of Methylene Blue cu负载ZSM-5/UiO-66复合催化剂高效降解亚甲基蓝的合成
IF 2.9 4区 工程技术
Korean Journal of Chemical Engineering Pub Date : 2024-10-14 DOI: 10.1007/s11814-024-00307-x
Jie Zhang, Fan Wu, Lin Xu, Rui Wen, Xu Zhang, Wei Xiong, Bai He, Songshan Jiang, Huan Yi
{"title":"Synthesis of Cu-Supported ZSM-5/UiO-66 Composite Catalysts for Efficient Degradation of Methylene Blue","authors":"Jie Zhang,&nbsp;Fan Wu,&nbsp;Lin Xu,&nbsp;Rui Wen,&nbsp;Xu Zhang,&nbsp;Wei Xiong,&nbsp;Bai He,&nbsp;Songshan Jiang,&nbsp;Huan Yi","doi":"10.1007/s11814-024-00307-x","DOIUrl":"10.1007/s11814-024-00307-x","url":null,"abstract":"<div><p>Cu-supported composite catalysts consisting of metal–organic frameworks (UiO-66) and ZSM-5 zeolite (Cu/ZSM-5/UiO-66, Cu–ZSM-5/UiO-66, and (Cu/ZSM-5)/UiO-66, respectively) were synthesized for the efficient catalytic wet peroxide oxidation (CWPO) of methylene blue (MB) wastewater. The Cu-active components were introduced by using incipient wetness impregnation method and one-step hydrothermal synthesis method. The composite catalysts were characterized by SEM, EDS mapping, XRD, and FT-IR. The catalytic activity can be affected by the ZSM-5 loading ratio and the Cu introduction method. Results indicated that the Cu/ZSM-5/UiO-66 composite catalysts exhibited the best catalytic activity for the CWPO degradation of MB wastewater (<i>X</i><sub>MB</sub> = 100%, <i>X</i><sub>H2O2</sub> = 89%) compared with Cu–ZSM-5/UiO-66 catalysts (<i>X</i><sub>MB</sub> = 89%, <i>X</i><sub>H2O2</sub> = 25%) and (Cu/ZSM-5)/UiO-66 (<i>X</i><sub>MB</sub> = 90%, <i>X</i><sub>H2O2</sub> = 29%) which confirmed the controllable activity of the catalysts. No Cu leaching concentration was detected in the treated wastewater over the Cu–ZSM-5/UiO-66 and (Cu/ZSM-5)/UiO-66 catalysts which indicated the enhanced stability of the Cu species in the composite catalysts. The supported Cu composite catalysts showed good catalytic activity and high stability for the CWPO of MB wastewater which have potential application in dye wastewater treatment.</p></div>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"42 2","pages":"415 - 428"},"PeriodicalIF":2.9,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994469","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Dynamic Maintenance of Underground Pipelines via a Systematic Approach for Conservative Estimation of Pipeline Defect Probability Density Under Data Scarcity 在数据稀缺的情况下,通过系统方法保守估计管道缺陷概率密度,对地下管道进行动态维护
IF 2.9 4区 工程技术
Korean Journal of Chemical Engineering Pub Date : 2024-10-08 DOI: 10.1007/s11814-024-00297-w
Damdae Park, Changsoo Kim, Kyeongsu Kim
{"title":"Dynamic Maintenance of Underground Pipelines via a Systematic Approach for Conservative Estimation of Pipeline Defect Probability Density Under Data Scarcity","authors":"Damdae Park,&nbsp;Changsoo Kim,&nbsp;Kyeongsu Kim","doi":"10.1007/s11814-024-00297-w","DOIUrl":"10.1007/s11814-024-00297-w","url":null,"abstract":"<div><p>The scarcity of the defect data may lead to the underestimation of defects, resulting in maintenance plans with inspection intervals that may not guarantee timely repairs. To address the low reliability of defect distribution models developed from insufficient data, we propose a systematic approach for deriving conservative probability distributions of pipeline defects. Based on the formal definition of conservative probability distributions, we present methods for modeling such distributions for pipeline defects, with the flexibility to adjust the degree of conservativeness. Furthermore, by incorporating Bayesian inference, we introduce a method for dynamic maintenance planning. The method enables effective utilization of the limited defect data samples obtained during pipeline inspection to assess overall pipeline conditions and dynamically determine subsequent maintenance intervals. The simulation results demonstrate that the proposed method can achieve cost-effective and safety-assured pipeline maintenance plans by quantitatively adjusting the degree of conservativeness, making it broadly applicable to various types of pipeline defects.</p></div>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"41 12","pages":"3287 - 3297"},"PeriodicalIF":2.9,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Response Surface Methodology (RSM) Design to Optimize the Cathode of Li-Ions Batteries Recycling in Deep Eutectic Solvent and DFT Simulation 深共晶溶剂中锂离子电池回收阴极优化的响应面法设计及DFT模拟
IF 2.9 4区 工程技术
Korean Journal of Chemical Engineering Pub Date : 2024-10-08 DOI: 10.1007/s11814-024-00288-x
Saeid Karimi, Leila Mafton-Azad, Bahram Behnajady, Burak Tüzün
{"title":"Response Surface Methodology (RSM) Design to Optimize the Cathode of Li-Ions Batteries Recycling in Deep Eutectic Solvent and DFT Simulation","authors":"Saeid Karimi,&nbsp;Leila Mafton-Azad,&nbsp;Bahram Behnajady,&nbsp;Burak Tüzün","doi":"10.1007/s11814-024-00288-x","DOIUrl":"10.1007/s11814-024-00288-x","url":null,"abstract":"<div><p>In this study, the dissolution of a cathode of Li-ion batteries (CLIB) in a deep eutectic solvent (DES) composed of choline chloride (ChCl) and glucose (G) was investigated using the response surface methodology (RSM) experimental design. The temperature ranged from 45 to 105 °C, time from 2 to 26 h, agitation from 250 to 850 rpm, and DES/CLIB ratio from 20 to 100 g/g. According to the analysis of variance (ANOVA), temperature had the most significant impact on the dissolution of all elements (Ni, Co, Mn, and Li). In contrast, agitation had no significant effect on metal recovery. Under optimal conditions, including a temperature of 93 °C, a time of 20 h, an agitation of 550 rpm, and a DES/CLIB ratio of 80 g/g, the efficiencies of Ni, Co, Mn, and Li were 85.7%, 90.1%, 89.6%, and 93.2%, respectively, which matched well with the modeling results. This paper presents a comprehensive DFT investigation at the B3LYP/6-31G(d) level of theory on the behavior of transition metal cations in the presence of ChCl and G. Findings elucidate the preference of specific cations for particular ligands, the stability of complex formations, and the crucial role of ligands in electron transfer processes.</p></div>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"42 2","pages":"361 - 381"},"PeriodicalIF":2.9,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
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