Journal of the Taiwan Institute of Chemical Engineers最新文献

筛选
英文 中文
Exploring antibacterial effectiveness: A comparative analysis of green and chemical synthesis of silver nanoparticles against Staphylococcus aureus 探索抗菌效果:针对金黄色葡萄球菌的银纳米粒子绿色合成与化学合成的比较分析
IF 5.5 3区 工程技术
Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2024-09-11 DOI: 10.1016/j.jtice.2024.105750
Muhammad Khari Secario , Thi Tuong Vi Truong , Chien-Chang Chen , Jui-Yang Lai , Shingjiang Jessie Lue
{"title":"Exploring antibacterial effectiveness: A comparative analysis of green and chemical synthesis of silver nanoparticles against Staphylococcus aureus","authors":"Muhammad Khari Secario ,&nbsp;Thi Tuong Vi Truong ,&nbsp;Chien-Chang Chen ,&nbsp;Jui-Yang Lai ,&nbsp;Shingjiang Jessie Lue","doi":"10.1016/j.jtice.2024.105750","DOIUrl":"10.1016/j.jtice.2024.105750","url":null,"abstract":"<div><h3>Background</h3><p>Silver nanoparticles (AgNPs) are renowned for their broad-spectrum antibacterial properties. Various synthesis methods, particularly green synthesis using biogenic agents, have garnered significant attention. However, the detailed impact of green-synthesized AgNPs on the antibacterial mechanism against <em>Staphylococcus aureus</em> remain unclear, limiting the full potential of green synthesis compared to chemical methods.</p></div><div><h3>Methods</h3><p>AgNPs were synthesized via chemical (sodium citrate, NaBH<sub>4</sub>) and green synthesis (green tea leaves, cassia seed extract) methods. The synthesized AgNPs were evaluated for toxicity and antibacterial activity against <em>Staphylococcus aureus</em>.</p></div><div><h3>Significant findings</h3><p>This study revealed a strong correlation (R<sup>2</sup>&gt;0.9) between minimal inhibitory concentration (MIC) and AgNP size for both synthesis methods, with a similar exponential trend. MIC values were 45, 40, 25, and 5 µg mL<sup>-1</sup> for citrate-, NaBH<sub>4</sub>-, green tea extract-, and cassia seed extract-assisted synthesis, respectively. Green-synthesized AgNPs showed higher antibacterial activity than chemical AgNPs at comparable sizes. Chemical AgNPs exhibited low and fluctuating scavenging activity, while green methods were more consistent. Cytotoxicity was noted in chemical AgNPs and at high concentrations of green tea extract-assisted AgNPs. Bacterial membrane disruption and ROS accumulation were also observed, contributing to the enhanced antibacterial activity of green-synthesized AgNPs.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105750"},"PeriodicalIF":5.5,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142167210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Vanadium selenide encapsulated β-Cyclodextrin/rGO nanosheets: An effective electrochemical detection of antibiotic in environmental aquatic and biological samples 硒化钒封装β-环糊精/rGO 纳米片:一种有效的水生环境和生物样品中抗生素的电化学检测方法
IF 5.5 3区 工程技术
Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2024-09-11 DOI: 10.1016/j.jtice.2024.105749
Kuo-Yuan Hwa , Aravindan Santhan , Anindita Ganguly , Ravikumar Murugan
{"title":"Vanadium selenide encapsulated β-Cyclodextrin/rGO nanosheets: An effective electrochemical detection of antibiotic in environmental aquatic and biological samples","authors":"Kuo-Yuan Hwa ,&nbsp;Aravindan Santhan ,&nbsp;Anindita Ganguly ,&nbsp;Ravikumar Murugan","doi":"10.1016/j.jtice.2024.105749","DOIUrl":"10.1016/j.jtice.2024.105749","url":null,"abstract":"<div><h3>Background</h3><p>Antibiotic identification with precision is crucial. Vanadium selenide (V<sub>3</sub>Se<sub>4</sub>) was synthesized and later encapsulated onto the beta-cyclodextrin/reduced graphene oxide nanosheets (β-CDN/rGONs) to achieve efficient electrochemical sensing of moxifloxacin hydrochloride (MFH) in water and biological samples. Due to their unique characteristics as composite structures, transition metal chalcogenides (TMDs) with carbon composite (V<sub>3</sub>Se<sub>4</sub>/ β-CDN/rGONs) were produced.</p></div><div><h3>Methods</h3><p>The structural and functional analysis by X-ray diffraction, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy revealed the crystalline purity and the successful formation of the composite material. Transmission electron microscopy were done to study the morphological properties of the material. The morphological analysis revealed spherical structure of the (V<sub>3</sub>Se<sub>4</sub>) material and wrinkled sheets of β-CDN/rGONs.</p></div><div><h3>Significant Findings</h3><p>The V<sub>3</sub>Se<sub>4</sub>/β-CDN/rGONs modified glassy carbon electrode (GCE) has been subjected to electrochemical sensing. A sensor for detecting MFH antibiotics employing cyclic voltammetry (CV) and differential pulse voltammetry (DPV) was developed. The DPV investigation has a low limit of detection (LOD) 15.2 nM, a wide linear range about 0.02 μM to 873.3 μM, and with the sensitivity of 1.87 μA μM<sup>-1</sup> cm<sup>2</sup>. The sensor's performance demonstrated good analyte recovery rates for real sample measurement in biological and environmental aquatic samples. The findings indicated that the sensor performs well at detecting MFH and has the potential for future applications.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105749"},"PeriodicalIF":5.5,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142167212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Tailoring properties of PET-derived Sn-MOFs through efficiency structure defects using trifluoroacetic acid (TFA) with water-based facile and green synthesis route 利用三氟乙酸 (TFA) 通过效率结构缺陷定制 PET 衍生 Sn-MOFs 性能的水基简便绿色合成路线
IF 5.5 3区 工程技术
Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2024-09-10 DOI: 10.1016/j.jtice.2024.105754
Thi-Hong Nguyen, Kung-Yuh Chiang
{"title":"Tailoring properties of PET-derived Sn-MOFs through efficiency structure defects using trifluoroacetic acid (TFA) with water-based facile and green synthesis route","authors":"Thi-Hong Nguyen,&nbsp;Kung-Yuh Chiang","doi":"10.1016/j.jtice.2024.105754","DOIUrl":"10.1016/j.jtice.2024.105754","url":null,"abstract":"<div><h3>Background</h3><p>The synthesis of Metal-Organic Frameworks (MOFs) is increasingly focused on achieving green and cost-efficient methods while producing high-quality products with abundant active sites. This approach is attracting significant attention from researchers. One promising method, modulated synthesis, stands out for its ability to induce structural defects in MOFs and enhance their active sites. However, the challenges in identifying the optimal conditions for critical factors, particularly the quantitative correlation between the modulator and crucial independent variables influencing MOFs performance, underscore the importance of research work in this field.</p></div><div><h3>Methods</h3><p>This study synthesized tin-based MOFs (Sn-MOF<sub>s</sub>) utilizing a linker derived from recycled polyethylene terephthalate (PET) waste. A hydrothermal approach was employed, utilizing water-like solvents and trifluoroacetic acid (TFA) as a modulator to effectively induce structural defects. Response Surface Methodology (RSM) was applied to evaluate the effects and interactions of temperature, reaction time, and TFA concentration on optimizing yield and crystalline index (CI) while simultaneously reducing the residual percentage of 1,4-benzene dicarboxylate (H<sub>2</sub>BDC) in the Sn-MOFs (DI).</p></div><div><h3>Significant findings</h3><p>The research revealed that temperature, reaction time, and TFA concentration significantly influenced the performance of Sn-MOFs, highlighting the considerable potential of TFA in creating active sites and enhancing the surface area and pore volume of Sn-MOFs through defect engineering. Optimal synthesis conditions for Sn-MOFs included a temperature of 148℃, a reaction time of 24 h, and a molar ratio of H<sub>2</sub>BDC/TFA of 1.7, yielding 98.51 ± 1.47 % for yield and 80.21 ± 1.32 % for CI, with no detectable residual H<sub>2</sub>BDC. The resulting Sn-MOF-150 exhibited characteristics such as high thermal and chemical stability, abundant function groups, and a unique hierarchical nanostructure composed of spherical nanoparticles. These findings further emphasize the efficacy of the synthesis approach for Sn-MOF through critical parameter optimization and defect engineering techniques.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105754"},"PeriodicalIF":5.5,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Corrigendum to “Eco-friendly and low-cost homogeneous cation exchange membranes functionalized by sodium dodecyl sulfate and applied in fine desalination” [Journal of the Taiwan Institute of Chemical Engineers 132 (2022) 104125] 十二烷基硫酸钠功能化的环保低成本均相阳离子交换膜在精细海水淡化中的应用》[《台湾化学工程师学会学报》132 (2022) 104125]更正
IF 5.5 3区 工程技术
Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2024-09-10 DOI: 10.1016/j.jtice.2024.105701
Jinli Zhao, Lin Dong, Qingbai Chen, Jianyou Wang
{"title":"Corrigendum to “Eco-friendly and low-cost homogeneous cation exchange membranes functionalized by sodium dodecyl sulfate and applied in fine desalination” [Journal of the Taiwan Institute of Chemical Engineers 132 (2022) 104125]","authors":"Jinli Zhao,&nbsp;Lin Dong,&nbsp;Qingbai Chen,&nbsp;Jianyou Wang","doi":"10.1016/j.jtice.2024.105701","DOIUrl":"10.1016/j.jtice.2024.105701","url":null,"abstract":"","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105701"},"PeriodicalIF":5.5,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1876107024003596/pdfft?md5=28f12692f82274f66b28b13a96731108&pid=1-s2.0-S1876107024003596-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163418","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Emerging Trends in fabrication and modification techniques for bioelectrochemical system electrodes: A review 生物电化学系统电极制造和改性技术的新趋势:综述
IF 5.5 3区 工程技术
Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2024-09-05 DOI: 10.1016/j.jtice.2024.105748
Rizwan Khan, Sudipa Bhadra, Soubhagya Nayak, Anagha Bindu, Ashish A Prabhu, Surajbhan Sevda
{"title":"Emerging Trends in fabrication and modification techniques for bioelectrochemical system electrodes: A review","authors":"Rizwan Khan,&nbsp;Sudipa Bhadra,&nbsp;Soubhagya Nayak,&nbsp;Anagha Bindu,&nbsp;Ashish A Prabhu,&nbsp;Surajbhan Sevda","doi":"10.1016/j.jtice.2024.105748","DOIUrl":"10.1016/j.jtice.2024.105748","url":null,"abstract":"<div><h3>Background</h3><p>Bioelectrochemical systems (BES) are specialized systems that can convert chemical energy into electrical energy using bacteria as catalysts. Electrodes play an important role in electrical energy transfer through electrochemical reactions. Electrodes are selected based on their physiochemical properties to enhance biological reactions. In microbial fuel cells (MFC), the anode is crucial because electrogens adhere to its surface and produce electrons and protons. These electrons and protons are absorbed by the cathode surface to generate bioelectricity. Numerous substances, like carbon based, metal based, conductive polymers and gas diffused materials, can be used as anodes and cathodes.</p></div><div><h3>Method</h3><p>To improve their physiochemical properties, conductive polymers such as polypyrrole (PPy) and polyaniline (PANI) are combined with other substances. In MFCs', both anode and cathode are important components. In anodic location, oxidation occurs, which produces electrons and protons. A reduction reaction produces molecules of water at the cathode location. Various materials can be utilised to create cathodes and anodes. Materials such as carbon based, CC, graphite and metals can be utilized to create anodes. Materials based on carbon, such as CC, carbon black, and so on, as well as materials based on metal and gas diffusion can be employed to create cathode. The electrode's surface material layer is created using electrode manufacturing techniques. Screen printing, electrochemical deposition, and chemical vapor deposition are the most of commonly used methods. Applications for BESs are numerous and include bioremediation, biosensors, MFCs, and microbial electrolysis cells (MECs). Various waste products are used in anodic chambers of MFCs to create electrical energy. Methane, green hydrogen, formic acid, hydrogen peroxide, and other value-added compounds are produced by MECs, a modified form of MFCs. Toxic contaminants in BESs can be removed and transformed into products with increased value using bioremediation. Biosensors are essential tools for physiochemical parameter monitoring in real time in the current world. MFC is regarded as a biosensor for contrasting the energy generated with many other factors.</p></div><div><h3>Significant Findings</h3><p>This paper mainly focuses on the different materials of electrodes that are being used and fabrication techniques that enhance the productivity of electrodes in BES to reduce the organic waste load and generate bioelectricity.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105748"},"PeriodicalIF":5.5,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142148833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Improved diffusion mapping combined with procrustes analysis for capturing local-global data structures in industrial process monitoring 改进的扩散映射与普氏分析相结合,用于捕捉工业过程监控中的局部-全局数据结构
IF 5.5 3区 工程技术
Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2024-08-31 DOI: 10.1016/j.jtice.2024.105747
Lingling Tong, Zhimin Lv
{"title":"Improved diffusion mapping combined with procrustes analysis for capturing local-global data structures in industrial process monitoring","authors":"Lingling Tong,&nbsp;Zhimin Lv","doi":"10.1016/j.jtice.2024.105747","DOIUrl":"10.1016/j.jtice.2024.105747","url":null,"abstract":"<div><h3>Background</h3><p>Process monitoring, by providing early warnings of abnormal operating states resulting from process faults, facilitates the maintenance of normal production and ensures process safety. In the domain of industrial process monitoring, capturing the local-global structural features of data and acquiring an explicit mapping relationship for dimensionality reduction projection holds significant importance for online fault detection in industrial processes.</p></div><div><h3>Methods</h3><p>This study introduces an Improved Diffusion Mapping and Procrustes analysis (IDM-P) method for this purpose. Initially, considering the multiscale and correlation among industrial data features, the Mahalanobis distance is incorporated to improve the diffusion mapping algorithm. Utilizing this method allows for the concurrent capture of both local and global data structures, leading to a more efficient extraction of data-representative features, which enhances the accuracy of fault detection. Procrustes analysis is then used to obtain an explicit mapping matrix between high-dimensional data and low-dimensional manifolds, improving the efficiency of the key feature extraction of the new samples. Finally, this matrix is utilized to construct process monitoring statistics for fault detection.</p></div><div><h3>Significant Findings</h3><p>The method's effectiveness was validated through experiments on the TEP dataset and actual industrial data, demonstrating that IDM-P maintains higher accuracy and achieves optimal fault detection compared to other methods.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105747"},"PeriodicalIF":5.5,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142097304","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 oxygen permeability and water content in silicone hydrogels through carboxylic acid and surfactant incorporation 通过加入羧酸和表面活性剂提高硅酮水凝胶的透氧性和含水量
IF 5.5 3区 工程技术
Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2024-08-31 DOI: 10.1016/j.jtice.2024.105745
Bo-Tau Liu, We-Chen Pan, Yi-Ting Lu, Kai-Ting Sun
{"title":"Enhancing oxygen permeability and water content in silicone hydrogels through carboxylic acid and surfactant incorporation","authors":"Bo-Tau Liu,&nbsp;We-Chen Pan,&nbsp;Yi-Ting Lu,&nbsp;Kai-Ting Sun","doi":"10.1016/j.jtice.2024.105745","DOIUrl":"10.1016/j.jtice.2024.105745","url":null,"abstract":"<div><h3>Background</h3><p>Silicone hydrogels are vital materials in fields like contact lenses, biomedicine, and electronic devices, prized for their unique properties including oxygen permeability and equilibrium water content (EWC). These features make them ideal for applications that require both breathability and moisture retention, enhancing their performance and comfort in various uses. Typically, enhancing the silicone content increases oxygen permeability but reduces EWC, creating a significant trade-off.</p></div><div><h3>Methods</h3><p>This study introduces an innovative approach using carboxylic acid and surfactant to address this challenge. The addition of carboxylic acid markedly boosts the EWC by increasing both freezable free water and bound water. Simultaneously, the surfactant enhances the connectivity within the silicone structure, mitigating the reduction in oxygen permeability and improving the material's ductility, which is often compromised by water absorption that restricts the motion of the silicone chains.</p></div><div><h3>Significant findings</h3><p>With these modifications, the silicone hydrogel achieves approximately 97 % transmittance at 550 nm, with oxygen permeability reaching 100.4 barrer and EWC at 58.4 %, representing improvements of 11.3 % and 61.3 %, respectively, compared to the original material. These results exceed many of the enhancements in silicone hydrogels previously reported in the literature.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105745"},"PeriodicalIF":5.5,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142097305","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A green bulk modification for imparting a green VIPS membrane with antifouling properties 用于赋予绿色 VIPS 膜防污性能的绿色块体改性剂
IF 5.5 3区 工程技术
Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2024-08-29 DOI: 10.1016/j.jtice.2024.105731
Antoine Venault, Yi-Ling Wu, Wen Xin Yen, Yung Chang
{"title":"A green bulk modification for imparting a green VIPS membrane with antifouling properties","authors":"Antoine Venault,&nbsp;Yi-Ling Wu,&nbsp;Wen Xin Yen,&nbsp;Yung Chang","doi":"10.1016/j.jtice.2024.105731","DOIUrl":"10.1016/j.jtice.2024.105731","url":null,"abstract":"<div><h3>Background</h3><p>Membrane preparation and membrane modification processes have long involved the use of toxic solvents. The present work proposes to only use envrionmentally-friendly solvents for both the fabrication and the surface modification of hydrophobic microfiltration membranes. In addition, coating processes for membrane modification are essentially surface modification processes. However, spray-coating may be a suitable method for both surface and bulk modification.</p></div><div><h3>Methods</h3><p>After dissolving poly(vinylidene fluoride) in dimethylsulfoxide, membranes were formed by the vapor-induced phase separation process, and then modified using an aqeous solution of an amphiphilic copolymer containing poly(ethylene glycol) methyl ether methacrylate units. Then, a variety of physicochemical techniques were employed to characterize the membrane structure and prove the effectiveness of the surface/bulk modification. Antifouling tests in static and dynamic conditions were conducted.</p></div><div><h3>Significant findings</h3><p>It is possible to reduce the water contact angle of the top surface of the membrane from 135° to 0° and that of the bottom surface from 126° to 0° within &lt;10 s, indicating successful hydrophilization of the membrane on the one hand, and top-to-bottom modification, despite solely exposing the top surface to the spray, on the other hand. This conclusion was confirmed by deidcated surface chemistry analyses. Besides, the membranes maintained their original highly porous and symmetric structure with light effects on surface porosity and pore size following the spray-coating process. The drasting improvement of hydrophilicity resulted in effective mitigation of fibrinogen adsorption (reduced by 85 %) and <em>Escherichia coli</em> adhesion (reduced by 86 %). Fouling during cyclic filtration involving a bacterial suspension was also effectively reduced with a flux recovery ratio of 53 % (against 37 % for a commercial hydrophilic membrane) and an irreversible flux decline ratio of 47 % (against 63 % for a commercial hydrophilic membrane) in the conditions of the test.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105731"},"PeriodicalIF":5.5,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142087932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Module-based machine learning models using sigma profiles of organic linkers to predict gaseous adsorption in metal-organic frameworks 基于模块的机器学习模型,利用有机连接体的西格玛曲线预测金属有机框架中的气体吸附情况
IF 5.5 3区 工程技术
Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2024-08-29 DOI: 10.1016/j.jtice.2024.105728
Ya-Hung Cheng , I-Ting Sung , Chieh-Ming Hsieh , Li-Chiang Lin
{"title":"Module-based machine learning models using sigma profiles of organic linkers to predict gaseous adsorption in metal-organic frameworks","authors":"Ya-Hung Cheng ,&nbsp;I-Ting Sung ,&nbsp;Chieh-Ming Hsieh ,&nbsp;Li-Chiang Lin","doi":"10.1016/j.jtice.2024.105728","DOIUrl":"10.1016/j.jtice.2024.105728","url":null,"abstract":"<div><h3>Background</h3><p>Metal-organic frameworks (MOFs) have drawn considerable attention for their potential in adsorption applications, such as gas separation and storage. Machine learning (ML) augmented high-throughput screening approaches have emerged as an effective strategy to expedite the materials search. Traditionally, ML models developed to predict the adsorption properties of MOFs rely on various geometrical and chemical descriptors. While these descriptors are effective, they tend to be specific to each MOF's unique structure, completely omitting the modular nature of MOFs.</p></div><div><h3>Methods</h3><p>A new approach is proposed in this study: a modular descriptor based on the sigma profile of MOF organic linkers. These sigma profiles effectively represent the chemical environment of organic linkers. With these profiles as input features, we train extreme gradient boosting (XGBoost) models to predict the Henry's coefficient (K<sub>H</sub>) of adsorption for hydrocarbons and acid gases in MOFs.</p></div><div><h3>Findings</h3><p>The results show that sigma profiles enhance the prediction accuracy and emerge as the most important features for hydrocarbon gases. This study highlights the potential of sigma profiles in developing accurate ML models for identifying optimal MOF adsorbents. Such an approach could also facilitate an inverse design of MOFs with targeted properties.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105728"},"PeriodicalIF":5.5,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142097303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Indium vacancy modulated BiVO4/ZnIn2S4 for photoelectrochemical production of ammonia 用于光电化学生产氨的铟空位调制 BiVO4/ZnIn2S4
IF 5.5 3区 工程技术
Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2024-08-27 DOI: 10.1016/j.jtice.2024.105724
Hongye Bai , Kangkang Jia , Pengjie Zhou , Lijing Liu , Xiaohong Wang , Weiqiang Fan
{"title":"Indium vacancy modulated BiVO4/ZnIn2S4 for photoelectrochemical production of ammonia","authors":"Hongye Bai ,&nbsp;Kangkang Jia ,&nbsp;Pengjie Zhou ,&nbsp;Lijing Liu ,&nbsp;Xiaohong Wang ,&nbsp;Weiqiang Fan","doi":"10.1016/j.jtice.2024.105724","DOIUrl":"10.1016/j.jtice.2024.105724","url":null,"abstract":"<div><h3>Background</h3><p>Photoelectrochemical (PEC) reduction of nitrate to produce ammonia (NIRR) is a green strategy for converting waste NO<sub>3</sub><sup>−</sup> into high-value chemicals. However, a lack of active sites and low selectivity still plague the single catalyst used to establish the PEC-NIRR system.</p></div><div><h3>Methods</h3><p>Here, we construct a BiVO<sub>4</sub>/V<sub>In</sub>-ZnIn<sub>2</sub>S<sub>4</sub> (BVO/V<sub>In</sub>-ZIS) heterostructure with indium vacancies. The introduction of indium vacancy significantly enhances the conversion of NO<sub>3</sub><sup>−</sup> to NH<sub>3</sub> by augmenting active sites and fostering carrier separation via the creation of a built-in electric field.</p></div><div><h3>Significant findings</h3><p>NH<sub>3</sub> yield of BVO/V<sub>In</sub>-ZIS heterostructure with moderate indium vacancy (BVO/V<sub>In</sub>-ZIS-m) has been promoted to 15.26 μg h<sup>−1</sup> cm<sup>−2</sup> (BVO/V<sub>In</sub>-ZIS-m), and NH<sub>3</sub> selectivity reaches 21.3 times that of NO<sub>2</sub><sup>−</sup>. The results of cyclic experiments further demonstrate that NH<sub>3</sub> yield of BVO/V<sub>In</sub>-ZIS-m has remained 98.4% after five cycles, due to its excellent durability. Therefore, this work demonstrates that indium vacancy could significantly modulate the PEC performance of BiVO<sub>4</sub> to achieve an efficient NH<sub>3</sub> production.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"165 ","pages":"Article 105724"},"PeriodicalIF":5.5,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142087220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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