Pub Date : 2026-05-01Epub Date: 2025-12-26DOI: 10.1016/j.jtice.2025.106588
Manh B Nguyen , Le Van Dung , Tan Le Hoang Doan , Pham Tung Son , Sanjit Nayak , Thi Hai Yen Pham , Valeska P. Ting , Huan V. Doan
Background
Zirconium-based metal-organic frameworks are promising candidates for catalytic applications due to their high structural stability, tunable porosity, and acidity. However, the influence of organic linkers on their acid site distribution, pore structure, and catalytic activity, particularly in hydrolysis and oxidative desulfurization reactions, has not been fully explored.
Methods
A series of Zr-MOFs was synthesized using a microwave-assisted solvothermal method at 100 °C for 30 minutes, reducing reaction times by 20–50 times compared to conventional solvothermal approaches. Structural, textural properties, acidity and defect content were characterized using TEM, BET, NH3-TPD, FTIR-CD3CN, ESR and XPS. The catalytic activity was evaluated for the hydrolysis of paraoxon-methyl (PM) and the oxidative desulfurization of dibenzothiophene (DBT) under mild conditions. The ODS mechanism of DBT and hydrolysis mechanism of PM are proposed based on the identified degradation products by GC–MS/LC-MC, nuclear magnetic resonance and the role of the Lewis acid sites.
Significant findings
Organic linker variation significantly affected the pore size (0.83–3.68 nm), surface area (1332–1762 m2 g-1), and acid site distribution. Zr-BTC exhibited the highest Lewis acidity (0.311 mmol g-1) and defect content, achieving complete PM hydrolysis in 2.5 min and 100 % DBT removal within 30 min. Catalytic efficiency strongly correlated with Lewis acid site density modulated by the choice of linker.
{"title":"Linker-driven tuning of pore structure and acidity in Zr-MOFs for paraoxon-methyl hydrolysis and efficient oxidative desulfurization","authors":"Manh B Nguyen , Le Van Dung , Tan Le Hoang Doan , Pham Tung Son , Sanjit Nayak , Thi Hai Yen Pham , Valeska P. Ting , Huan V. Doan","doi":"10.1016/j.jtice.2025.106588","DOIUrl":"10.1016/j.jtice.2025.106588","url":null,"abstract":"<div><h3>Background</h3><div>Zirconium-based metal-organic frameworks are promising candidates for catalytic applications due to their high structural stability, tunable porosity, and acidity. However, the influence of organic linkers on their acid site distribution, pore structure, and catalytic activity, particularly in hydrolysis and oxidative desulfurization reactions, has not been fully explored.</div></div><div><h3>Methods</h3><div>A series of Zr-MOFs was synthesized using a microwave-assisted solvothermal method at 100 °C for 30 minutes, reducing reaction times by 20–50 times compared to conventional solvothermal approaches. Structural, textural properties, acidity and defect content were characterized using TEM, BET, NH<sub>3</sub>-TPD, FTIR-CD<sub>3</sub>CN, ESR and XPS. The catalytic activity was evaluated for the hydrolysis of paraoxon-methyl (PM) and the oxidative desulfurization of dibenzothiophene (DBT) under mild conditions. The ODS mechanism of DBT and hydrolysis mechanism of PM are proposed based on the identified degradation products by GC–MS/LC-MC, nuclear magnetic resonance and the role of the Lewis acid sites.</div></div><div><h3>Significant findings</h3><div>Organic linker variation significantly affected the pore size (0.83–3.68 nm), surface area (1332–1762 m<sup>2</sup> g<sup>-1</sup>), and acid site distribution. Zr-BTC exhibited the highest Lewis acidity (0.311 mmol g<sup>-1</sup>) and defect content, achieving complete PM hydrolysis in 2.5 min and 100 % DBT removal within 30 min. Catalytic efficiency strongly correlated with Lewis acid site density modulated by the choice of linker.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106588"},"PeriodicalIF":6.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837751","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}
Pub Date : 2026-05-01Epub Date: 2025-12-08DOI: 10.1016/j.jtice.2025.106569
Yujie Zhang, Shoulong Peng, Siyu Zhang, Jiani Li
Given the increasing organic pollution in industrial wastewater and the disposal risks of municipal sludge, developing advanced oxidation technology based on sludge-derived biochar-activated peroxymonosulfate (PMS) is highly promising. In this study, a series of sludge-derived biochars (SSB) were prepared via alkali modification and nitrogen doping, and their performance and mechanism in activating PMS for the degradation of organic pollutants were systematically investigated. After alkali modification, the surface of biochar becomes much rougher, and meanwhile the functional group C=O appears. After urea doping, the biochar exhibits a more porous characteristic, and the increased nitrogen species can enhance the electron transfer ability. Experimental results demonstrated that the 0.5-SSB-3/PMS reaction system could rapidly oxidize and degrade multiple organic pollutants. Characterization via SEM and BET revealed that the modified biochar has a rough surface and a relatively distinct pore structure, while both its pore size and pore volume are increased. Mechanistic investigations revealed that non-radical singlet oxygen (1O2) served as the dominant reactive species. On the one hand, it is generated by the self-decomposition of PMS; on the other hand, it is generated by the activation of PMS by special structures such as C=O, pyridinic N, and graphitic N. The catalyst maintained high efficiency across a wide pH range (3–9), and the 0.5-SSB-3/PMS system still achieved 90.7% pollutant degradation after five reuse cycles. This study provides valuable insights into the resource utilization of sludge and the degradation of organic pollutants.
{"title":"Alkali modification and nitrogen doping synergistically regulate sludge-derived biochar for persulfate activation and organic pollutant degradation","authors":"Yujie Zhang, Shoulong Peng, Siyu Zhang, Jiani Li","doi":"10.1016/j.jtice.2025.106569","DOIUrl":"10.1016/j.jtice.2025.106569","url":null,"abstract":"<div><div>Given the increasing organic pollution in industrial wastewater and the disposal risks of municipal sludge, developing advanced oxidation technology based on sludge-derived biochar-activated peroxymonosulfate (PMS) is highly promising. In this study, a series of sludge-derived biochars (SSB) were prepared via alkali modification and nitrogen doping, and their performance and mechanism in activating PMS for the degradation of organic pollutants were systematically investigated. After alkali modification, the surface of biochar becomes much rougher, and meanwhile the functional group C=O appears. After urea doping, the biochar exhibits a more porous characteristic, and the increased nitrogen species can enhance the electron transfer ability. Experimental results demonstrated that the 0.5-SSB-3/PMS reaction system could rapidly oxidize and degrade multiple organic pollutants. Characterization via SEM and BET revealed that the modified biochar has a rough surface and a relatively distinct pore structure, while both its pore size and pore volume are increased. Mechanistic investigations revealed that non-radical singlet oxygen (<sup>1</sup>O<sub>2</sub>) served as the dominant reactive species. On the one hand, it is generated by the self-decomposition of PMS; on the other hand, it is generated by the activation of PMS by special structures such as C=O, pyridinic N, and graphitic N. The catalyst maintained high efficiency across a wide pH range (3–9), and the 0.5-SSB-3/PMS system still achieved 90.7% pollutant degradation after five reuse cycles. This study provides valuable insights into the resource utilization of sludge and the degradation of organic pollutants.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106569"},"PeriodicalIF":6.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145697412","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}
Pub Date : 2026-05-01Epub Date: 2025-12-13DOI: 10.1016/j.jtice.2025.106581
Jianji Zhao , Xiangyu Zhang , Xiaoqiang Wang , Deyi Ou , Kecheng Huang , Chenglan Liu
Background
Engineered waste-derived biochar can simultaneously remediate polluted aquatic and soil environments, but a comprehensive and mechanistic assessment of efficacy is required, particularly concerning emerging herbicide residues in complex agricultural environments.
Methods
We engineered four types of biochar derived from different waste, including tobacco straw (TBC), rice husk (RBC), cattle feces (FBC), and cattle bone (BBC), and evaluated their potential as a multifunctional strategy for regulating herbicide flumetsulam (FLM) adsorption, degradation, and microbial interaction mechanisms.
Significant findings
The adsorption capacity of these biochars for FLM followed the order: RBC > BBC > TBC > FBC. Among them, RBC demonstrated a high specific surface area (611.24 m²/g) and the largest sorption quantity (39.39 mg/g). This remarkable performance benefited from the surface adsorption and hydrophobic distribution, primarily controlled by the pore filling, hydrogen bonding, π-π stacking, and hydrophobic interaction. Notably, both RBC and FBC accelerated the degradation of FLM in soil, with degradation rate constants increasing by 138.6-213.1% and 22.2-58.5%, respectively. 16S rRNA sequencing revealed feedstock-specific microbiome remodeling, enriching keystone taxa linked to FLM degradation, including Ellin6067 (RBC) and Lysobacter (FBC). Moreover, two degradation products of FLM were identified by a Q Exactive combined quadrupole-Orbitrap mass spectrometer (Q-TOF), and toxicity tests showed that the toxicity of the degradation intermediates was reduced. Overall, this work provides new insights for using agricultural waste to produce low-cost remediation materials with high adsorption capacity and enhanced biodegradation efficiency, positioning them as highly effective in reducing the risk of herbicide residues in agricultural environments.
{"title":"Synergistic adsorption and degradation of flumetsulam residue by agricultural waste-derived biochar: Performance and mechanism","authors":"Jianji Zhao , Xiangyu Zhang , Xiaoqiang Wang , Deyi Ou , Kecheng Huang , Chenglan Liu","doi":"10.1016/j.jtice.2025.106581","DOIUrl":"10.1016/j.jtice.2025.106581","url":null,"abstract":"<div><h3>Background</h3><div>Engineered waste-derived biochar can simultaneously remediate polluted aquatic and soil environments, but a comprehensive and mechanistic assessment of efficacy is required, particularly concerning emerging herbicide residues in complex agricultural environments.</div></div><div><h3>Methods</h3><div>We engineered four types of biochar derived from different waste, including tobacco straw (TBC), rice husk (RBC), cattle feces (FBC), and cattle bone (BBC), and evaluated their potential as a multifunctional strategy for regulating herbicide flumetsulam (FLM) adsorption, degradation, and microbial interaction mechanisms.</div></div><div><h3>Significant findings</h3><div>The adsorption capacity of these biochars for FLM followed the order: RBC > BBC > TBC > FBC. Among them, RBC demonstrated a high specific surface area (611.24 m²/g) and the largest sorption quantity (39.39 mg/g). This remarkable performance benefited from the surface adsorption and hydrophobic distribution, primarily controlled by the pore filling, hydrogen bonding, π-π stacking, and hydrophobic interaction. Notably, both RBC and FBC accelerated the degradation of FLM in soil, with degradation rate constants increasing by 138.6-213.1% and 22.2-58.5%, respectively. 16S rRNA sequencing revealed feedstock-specific microbiome remodeling, enriching keystone taxa linked to FLM degradation, including <em>Ellin6067</em> (RBC) and <em>Lysobacter</em> (FBC). Moreover, two degradation products of FLM were identified by a Q Exactive combined quadrupole-Orbitrap mass spectrometer (Q-TOF), and toxicity tests showed that the toxicity of the degradation intermediates was reduced. Overall, this work provides new insights for using agricultural waste to produce low-cost remediation materials with high adsorption capacity and enhanced biodegradation efficiency, positioning them as highly effective in reducing the risk of herbicide residues in agricultural environments.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106581"},"PeriodicalIF":6.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145735966","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}
Pub Date : 2026-05-01Epub Date: 2025-12-19DOI: 10.1016/j.jtice.2025.106567
Sandhiya Mohan, Gokul Sreekumar, Keerthi Praveen
Background
The goal of this work is to create a biopolymer packaging film that is made of Sodium alginate and I-Carrageenan and reinforced with different amounts of natural rubber latex (NRL). The objective is to enhance the film's mechanical and physicochemical characteristics for possible use in the packaging sector.
Method
Solvent casting was the method used to create the films. Scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR) were used to examine the physicochemical properties of the films. The impact of varying quantities of NRL on the performance of the film was evaluated.
Significant Findings
When NRL was added, the moisture content decreased from 6.98% to 3.87% and the water solubility drastically decreased from 9.55% to 5.61%, resulting in a decrease in moisture retention. On the other hand, with 20% NRL content, mechanical characteristics significantly improved, with tensile strength rising from 18.63 MPa to 45.45 MPa. Furthermore, films containing NRL demonstrated exceptional optical transparency and improved UV resistance. According to these results, NRL functions as a powerful reinforcing agent, improving the biopolymer films' capacity for packaging applications.
{"title":"Development and characterization of biodegradable packaging films based on sodium alginate, Iota-carrageenan and latex blends for packaging applications","authors":"Sandhiya Mohan, Gokul Sreekumar, Keerthi Praveen","doi":"10.1016/j.jtice.2025.106567","DOIUrl":"10.1016/j.jtice.2025.106567","url":null,"abstract":"<div><h3>Background</h3><div>The goal of this work is to create a biopolymer packaging film that is made of Sodium alginate and I-Carrageenan and reinforced with different amounts of natural rubber latex (NRL). The objective is to enhance the film's mechanical and physicochemical characteristics for possible use in the packaging sector.</div></div><div><h3>Method</h3><div>Solvent casting was the method used to create the films. Scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR) were used to examine the physicochemical properties of the films. The impact of varying quantities of NRL on the performance of the film was evaluated.</div></div><div><h3>Significant Findings</h3><div>When NRL was added, the moisture content decreased from 6.98% to 3.87% and the water solubility drastically decreased from 9.55% to 5.61%, resulting in a decrease in moisture retention. On the other hand, with 20% NRL content, mechanical characteristics significantly improved, with tensile strength rising from 18.63 MPa to 45.45 MPa. Furthermore, films containing NRL demonstrated exceptional optical transparency and improved UV resistance. According to these results, NRL functions as a powerful reinforcing agent, improving the biopolymer films' capacity for packaging applications.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106567"},"PeriodicalIF":6.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145788176","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}
Pub Date : 2026-05-01Epub Date: 2025-12-20DOI: 10.1016/j.jtice.2025.106591
Zahra Salmanzadeh-Jamadi , Aziz Habibi-Yangjeh , Alireza Khataee
Background
Dye and pharmaceutical pollution in water bodies poses a serious worldwide challenge, endangering both aquatic ecosystems and human health because of their durability, harmful effects, and potential to cause cancer, making urgent intervention.
Methods
In this study, plasmonic TiO2-X/Bi19Br3S27/Bi photocatalysts were successfully formulated through a two-step hydrothermal method using sodium borohydride as a reducing agent. The synthesized photocatalyst exhibited greatly improved photocatalytic performance in the degradation of various pollutants, including azithromycin (AZM), tetracycline hydrochloride (TCH), and cephalexin (CPN), and three dyes, including methyl orange (MO), methylene blue (MB), and rhodamine B (RhB). Key improvements are superior redox efficiency resulting from the highly negative conduction potential of Bi19Br3S27, improved visible-light response induced by bismuth nanoparticles and defects formed in TiO2 (abbreviated as TiO2-x), efficient separation rate and photoinduced charge carrier transport, creation of active sites and species, development of S-scheme mechanism between the photocatalyst counterparts, and quantum size of the synthesized photocatalysts.
Significant findings
The impact of Bi19Br3S27 nanoparticles (5, 10, and 20 wt%) on the performance of TiO2-X was investigated to determine the optimal photocatalyst composition. The highest photocatalytic degradation of TCH was achieved by the TiO2-X/Bi19Br3S27 (10 %) nanocomposite (98 % in 180 min). The optimized TiO2-X/Bi19Br3S27/Bi-2 nanocomposite achieved a TCH degradation rate of 99.7 % within 60 min with a reaction rate constant of 1002 × 10‒4 min‒1, which was 4.81 times of TiO2-X/Bi19Br3S27 (10 %), 16.6 folds of Bi19Br3S27, 14.6 times of TiO2, and 4.41 as high as TiO2-x under the identical conditions. The TiO2-X/Bi19Br3S27/Bi-2 nanocomposite exhibited stability across four reuse cycles, while its compatibility with biological systems was shown by successful lentil seed growth in the treated solution. This work introduces an innovative nanocomposite designed for the degradation of dyes and the elimination of antibiotics with usability in plant irrigation applications.
{"title":"Synergistic surface plasmon resonance and S-scheme charge migration in oxygen vacancy rich TiO2/Bi19Br3S27/Bi nanostructures enabling outstanding photocatalytic degradation of pollutants","authors":"Zahra Salmanzadeh-Jamadi , Aziz Habibi-Yangjeh , Alireza Khataee","doi":"10.1016/j.jtice.2025.106591","DOIUrl":"10.1016/j.jtice.2025.106591","url":null,"abstract":"<div><h3>Background</h3><div>Dye and pharmaceutical pollution in water bodies poses a serious worldwide challenge, endangering both aquatic ecosystems and human health because of their durability, harmful effects, and potential to cause cancer, making urgent intervention.</div></div><div><h3>Methods</h3><div>In this study, plasmonic TiO<sub>2-X</sub>/Bi<sub>19</sub>Br<sub>3</sub>S<sub>27</sub>/Bi photocatalysts were successfully formulated through a two-step hydrothermal method using sodium borohydride as a reducing agent. The synthesized photocatalyst exhibited greatly improved photocatalytic performance in the degradation of various pollutants, including azithromycin (AZM), tetracycline hydrochloride (TCH), and cephalexin (CPN), and three dyes, including methyl orange (MO), methylene blue (MB), and rhodamine B (RhB). Key improvements are superior redox efficiency resulting from the highly negative conduction potential of Bi<sub>19</sub>Br<sub>3</sub>S<sub>27</sub>, improved visible-light response induced by bismuth nanoparticles and defects formed in TiO<sub>2</sub> (abbreviated as TiO<sub>2-x</sub>), efficient separation rate and photoinduced charge carrier transport, creation of active sites and species, development of S-scheme mechanism between the photocatalyst counterparts, and quantum size of the synthesized photocatalysts.</div></div><div><h3>Significant findings</h3><div>The impact of Bi<sub>19</sub>Br<sub>3</sub>S<sub>27</sub> nanoparticles (5, 10, and 20 wt%) on the performance of TiO<sub>2-X</sub> was investigated to determine the optimal photocatalyst composition. The highest photocatalytic degradation of TCH was achieved by the TiO<sub>2-X</sub>/Bi<sub>19</sub>Br<sub>3</sub>S<sub>27</sub> (10 %) nanocomposite (98 % in 180 min). The optimized TiO<sub>2-X</sub>/Bi<sub>19</sub>Br<sub>3</sub>S<sub>27</sub>/Bi-2 nanocomposite achieved a TCH degradation rate of 99.7 % within 60 min with a reaction rate constant of 1002 × 10<sup>‒4</sup> min<sup>‒1</sup>, which was 4.81 times of TiO<sub>2-X</sub>/Bi<sub>19</sub>Br<sub>3</sub>S<sub>27</sub> (10 %), 16.6 folds of Bi<sub>19</sub>Br<sub>3</sub>S<sub>27</sub>, 14.6 times of TiO<sub>2,</sub> and 4.41 as high as TiO<sub>2-x</sub> under the identical conditions. The TiO<sub>2-X</sub>/Bi<sub>19</sub>Br<sub>3</sub>S<sub>27</sub>/Bi-2 nanocomposite exhibited stability across four reuse cycles, while its compatibility with biological systems was shown by successful lentil seed growth in the treated solution. This work introduces an innovative nanocomposite designed for the degradation of dyes and the elimination of antibiotics with usability in plant irrigation applications.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106591"},"PeriodicalIF":6.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837753","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}
Pub Date : 2026-05-01Epub Date: 2025-12-31DOI: 10.1016/j.jtice.2025.106604
Jianing Shi , Siru Huang , Xunfa Yu , Wanying Zhai , Guochao Xie , Li Guo , Tiancui Li
Background
Azo dyes such as Orange II are highly toxic, structurally stable, and resistant to biodegradation, posing serious risks to aquatic environments. Conventional treatment methods are often ineffective, necessitating the development of efficient and sustainable degradation strategies.
Methods
This study investigated a Fe²⁺/IO₃⁻/UV system for Orange II degradation. Key operational factors were systematically examined, while radical quenching and EPR were applied to identify reactive species. LC–MS and frontier molecular orbital analysis were used to propose degradation pathways, and ECOSAR assessed the toxicity of intermediates. Process optimization was conducted using response surface methodology.
Results
Hydroxyl radicals, superoxide radicals, and iodine-centered radicals were identified as the dominant oxidants. Under optimal conditions (pH 11, Fe²⁺ = 0.05 mM, IO₃⁻ = 3 mM, UV = 32 W), Orange II removal reached 99.26 %, surpassing the conventional Fenton-like process. Simulated natural water tests achieved >90 % removal, with low energy consumption and reduced toxicity of byproducts, confirming both environmental compatibility and economic feasibility.
偶氮染料如橙ⅱ具有剧毒、结构稳定、抗生物降解等特点,对水生环境构成严重威胁。传统的处理方法往往是无效的,因此必须制定有效和可持续的降解战略。方法研究了Fe 2 + /IO₃⁻/UV体系对橙II的降解作用。系统考察了关键操作因素,并应用自由基猝灭和EPR技术鉴定了反应物质。采用LC-MS和前沿分子轨道分析提出了降解途径,ECOSAR评估了中间体的毒性。采用响应面法进行工艺优化。结果羟基自由基、超氧自由基和碘中心自由基是主要的氧化剂。在最佳条件下(pH 11, Fe 2⁺= 0.05 mM, IO₃⁻= 3 mM, UV = 32 W), Orange II的去除率达到99.26%,超过了传统的类芬顿法。模拟天然水试验达到了90%的去除率,能耗低,副产品毒性降低,证实了环境兼容性和经济可行性。
{"title":"A photo-driven iodate–iron synergistic advanced oxidation process for efficient Orange II degradation in water treatment","authors":"Jianing Shi , Siru Huang , Xunfa Yu , Wanying Zhai , Guochao Xie , Li Guo , Tiancui Li","doi":"10.1016/j.jtice.2025.106604","DOIUrl":"10.1016/j.jtice.2025.106604","url":null,"abstract":"<div><h3>Background</h3><div>Azo dyes such as Orange II are highly toxic, structurally stable, and resistant to biodegradation, posing serious risks to aquatic environments. Conventional treatment methods are often ineffective, necessitating the development of efficient and sustainable degradation strategies.</div></div><div><h3>Methods</h3><div>This study investigated a Fe²⁺/IO₃⁻/UV system for Orange II degradation. Key operational factors were systematically examined, while radical quenching and EPR were applied to identify reactive species. LC–MS and frontier molecular orbital analysis were used to propose degradation pathways, and ECOSAR assessed the toxicity of intermediates. Process optimization was conducted using response surface methodology.</div></div><div><h3>Results</h3><div>Hydroxyl radicals, superoxide radicals, and iodine-centered radicals were identified as the dominant oxidants. Under optimal conditions (pH 11, Fe²⁺ = 0.05 mM, IO₃⁻ = 3 mM, UV = 32 W), Orange II removal reached 99.26 %, surpassing the conventional Fenton-like process. Simulated natural water tests achieved >90 % removal, with low energy consumption and reduced toxicity of byproducts, confirming both environmental compatibility and economic feasibility.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106604"},"PeriodicalIF":6.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880930","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}
Pub Date : 2026-05-01Epub Date: 2025-12-17DOI: 10.1016/j.jtice.2025.106587
Xinni Tang , Manying Zhu , Yihui Wu , Jiaxin Luo , Xinrui Yang , Shixing Wang , Libo Zhang
Background
Germanium (Ge) is a rare strategic element, with its content in industrial wastewater far exceeding the Earth's crustal average, necessitating efficient recovery.
Methods
This study synthesized a zirconium-based metal-organic framework (UiO-66–2OH) with hydroxyl groups via solvothermal method using 2,5-dihydroxyterephthalic acid as a linker. Characterization by SEM, EDS, XRD, FT-IR, BET, and XPS confirmed high crystallinity and abundant oxygen-containing groups. Batch adsorption experiments assessed performance.
Significant Findings
UiO-66–2OH showed excellent adsorption capacity and selectivity under alkaline conditions, due to its porous structure, high surface area, and rich hydroxyl/carboxyl sites. Spectroscopic analysis and DFT calculations indicated a strong coordination between Ge(IV) and hydroxyl groups on 2,5-dihydroxyterephthalic acid, enabling efficient Ge capture. At pH 10, it achieved a 253.87 mg/g capacity at room temperature. Kinetics followed a pseudo-n-order model, and isotherms fit the Langmuir model, suggesting chemisorption-driven monolayer adsorption. Robust Zr-O clusters ensured stability across multiple cycles. These findings position UiO-66–2OH as a promising adsorbent for sustainable Ge recovery from complex solutions.
{"title":"Efficient Ge(IV) CAPTURE by hydroxyl-functionalized Zr-MOF via inner-sphere complexation","authors":"Xinni Tang , Manying Zhu , Yihui Wu , Jiaxin Luo , Xinrui Yang , Shixing Wang , Libo Zhang","doi":"10.1016/j.jtice.2025.106587","DOIUrl":"10.1016/j.jtice.2025.106587","url":null,"abstract":"<div><h3>Background</h3><div>Germanium (Ge) is a rare strategic element, with its content in industrial wastewater far exceeding the Earth's crustal average, necessitating efficient recovery.</div></div><div><h3>Methods</h3><div>This study synthesized a zirconium-based metal-organic framework (UiO-66–2OH) with hydroxyl groups via solvothermal method using 2,5-dihydroxyterephthalic acid as a linker. Characterization by SEM, EDS, XRD, FT-IR, BET, and XPS confirmed high crystallinity and abundant oxygen-containing groups. Batch adsorption experiments assessed performance.</div></div><div><h3>Significant Findings</h3><div>UiO-66–2OH showed excellent adsorption capacity and selectivity under alkaline conditions, due to its porous structure, high surface area, and rich hydroxyl/carboxyl sites. Spectroscopic analysis and DFT calculations indicated a strong coordination between Ge(IV) and hydroxyl groups on 2,5-dihydroxyterephthalic acid, enabling efficient Ge capture. At pH 10, it achieved a 253.87 mg/g capacity at room temperature. Kinetics followed a pseudo-n-order model, and isotherms fit the Langmuir model, suggesting chemisorption-driven monolayer adsorption. Robust Zr-O clusters ensured stability across multiple cycles. These findings position UiO-66–2OH as a promising adsorbent for sustainable Ge recovery from complex solutions.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"182 ","pages":"Article 106587"},"PeriodicalIF":6.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145788249","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}
Pub Date : 2026-04-01Epub Date: 2025-12-08DOI: 10.1016/j.jtice.2025.106541
Wei Tong , Jie Yang , Yaxiong Ji , Hongli Wu
Backgrounds
Formaldehyde (HCHO) is a hazardous indoor pollutant requiring efficient low-temperature abatement. Catalytic oxidation effectiveness hinges on active oxygen species generation.
Methods
Pt/δ-MnO2 catalysts were synthesized using five manganese precursors (acetate, sulfate, carbonate, chloride, nitrate) via impregnation-reduction. Catalytic performance was assessed for HCHO oxidation (200–460 ppm, 80,000 mL/(g·h)), with mechanisms probed via in situ DRIFTS, DFT, XPS, EPR, Raman, H2-TPR, SEM, TEM and N2 adsorption-desorption.
Significant findings
Pt/MnO2-S (sulfate-derived) achieved 100 % HCHO conversion at 50 °C (200 ppm, 80,000 mL/(g·h)), outperforming other precursors due to its abundant oxygen vacancies (EPR/XPS) and high metallic Pt° content (55 %, XPS). In situ DRIFTS and DFT calculations revealed that Pt nanoparticles and oxygen vacancies synergistically generate active oxygen species, enabling a dual-path "butterfly mechanism": Under O2-rich conditions, surface radicals (O, OH) dominate oxidation to CO2/H2O; in O2-deficient environments, lattice oxygen participates, accumulating formate intermediates. Pt/MnO2-S exhibited exceptional stability (100 % conversion at 460 ppm for >4 h) and recyclability. The work establishes oxygen vacancy engineering as critical for enhancing Pt-MnO2 interfacial reactivity.
{"title":"Unraveling the role of oxygen species in Pt/MnO2 catalysts for low-temperature HCHO abatement: A precursor-dependent study","authors":"Wei Tong , Jie Yang , Yaxiong Ji , Hongli Wu","doi":"10.1016/j.jtice.2025.106541","DOIUrl":"10.1016/j.jtice.2025.106541","url":null,"abstract":"<div><h3>Backgrounds</h3><div>Formaldehyde (HCHO) is a hazardous indoor pollutant requiring efficient low-temperature abatement. Catalytic oxidation effectiveness hinges on active oxygen species generation.</div></div><div><h3>Methods</h3><div>Pt/δ-MnO<sub>2</sub> catalysts were synthesized using five manganese precursors (acetate, sulfate, carbonate, chloride, nitrate) via impregnation-reduction. Catalytic performance was assessed for HCHO oxidation (200–460 ppm, 80,000 mL/(g·h)), with mechanisms probed via in situ DRIFTS, DFT, XPS, EPR, Raman, H<sub>2</sub>-TPR, SEM, TEM and N<sub>2</sub> adsorption-desorption.</div></div><div><h3>Significant findings</h3><div>Pt/MnO<sub>2</sub>-S (sulfate-derived) achieved 100 % HCHO conversion at 50 °C (200 ppm, 80,000 mL/(g·h)), outperforming other precursors due to its abundant oxygen vacancies (EPR/XPS) and high metallic Pt° content (55 %, XPS). In situ DRIFTS and DFT calculations revealed that Pt nanoparticles and oxygen vacancies synergistically generate active oxygen species, enabling a dual-path \"butterfly mechanism\": Under O<sub>2</sub>-rich conditions, surface radicals (O, OH) dominate oxidation to CO<sub>2</sub>/H<sub>2</sub>O; in O<sub>2</sub>-deficient environments, lattice oxygen participates, accumulating formate intermediates. Pt/MnO<sub>2</sub>-S exhibited exceptional stability (100 % conversion at 460 ppm for >4 h) and recyclability. The work establishes oxygen vacancy engineering as critical for enhancing Pt-MnO<sub>2</sub> interfacial reactivity.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106541"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145733206","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}
Pub Date : 2026-04-01Epub Date: 2025-11-08DOI: 10.1016/j.jtice.2025.106514
Zili Liang , Jianan Dai , Meiting Zhao , Jing Ma , Jiaxing Zhang , Tengyue Zhang , Rui Liu
Background
Escalating global water pollution from intensified industrial and agricultural activities has highlighted the urgent need for sustainable wastewater treatment. Semiconductor photocatalysis is a promising solution, yet conventional type-II heterojunctions often suffer from sluggish charge separation and weak redox capacity, limiting their practical application.
Methods
To address these challenges, a series of Z-scheme g-C3N4/BiVO4 (CN/BV) heterojunctions were rationally engineered via hydrothermal temperature modulation (100-180 °C), enabling precise control of crystallinity, morphology, and band alignment. Advanced characterizations (XRD, TEM, UV-vis DRS, and XPS) were combined with EPR analysis, DFT calculations, and XPS valence band studies to elucidate the structure–property–activity relationship. Furthermore, machine learning models were integrated with experimental data to predict norfloxacin (NOR) degradation performance under diverse operational conditions.
Significant Findings
The optimized CN/BV composite synthesized at 120°C exhibited outstanding photocatalytic activity, achieving 94.41 % degradation of norfloxacin (10 mg/L) within 120 min under visible light (λ > 420 nm), with an apparent rate constant (k = 0.02618 min⁻¹), 4.83 times higher than BiVO4 and 2.44 times higher than g-C3N4. EPR and radical trapping analyses identified •OH and •O₂⁻ as the dominant reactive species, while mechanistic evidence confirmed a direct Z-scheme charge transfer pathway enabling efficient carrier separation and strong redox capability. Integrating this rationally designed photocatalyst with machine-learning prediction (R2 = 0.8558, RMSE = 0.0510) establishes a data-driven framework for performance optimization. This study provides both a mechanistic insight and an intelligent design paradigm for next-generation photocatalysts targeting efficient degradation of emerging contaminants.
{"title":"Z-Scheme g-C3N4/BiVO4 photocatalysts via hydrothermal tuning: charge transfer mechanism and machine learning optimization","authors":"Zili Liang , Jianan Dai , Meiting Zhao , Jing Ma , Jiaxing Zhang , Tengyue Zhang , Rui Liu","doi":"10.1016/j.jtice.2025.106514","DOIUrl":"10.1016/j.jtice.2025.106514","url":null,"abstract":"<div><h3>Background</h3><div>Escalating global water pollution from intensified industrial and agricultural activities has highlighted the urgent need for sustainable wastewater treatment. Semiconductor photocatalysis is a promising solution, yet conventional type-II heterojunctions often suffer from sluggish charge separation and weak redox capacity, limiting their practical application.</div></div><div><h3>Methods</h3><div>To address these challenges, a series of Z-scheme g-C<sub>3</sub>N<sub>4</sub>/BiVO<sub>4</sub> (CN/BV) heterojunctions were rationally engineered <em>via</em> hydrothermal temperature modulation (100-180 °C), enabling precise control of crystallinity, morphology, and band alignment. Advanced characterizations (XRD, TEM, UV-vis DRS, and XPS) were combined with EPR analysis, DFT calculations, and XPS valence band studies to elucidate the structure–property–activity relationship. Furthermore, machine learning models were integrated with experimental data to predict norfloxacin (NOR) degradation performance under diverse operational conditions.</div></div><div><h3>Significant Findings</h3><div>The optimized CN/BV composite synthesized at 120°C exhibited outstanding photocatalytic activity, achieving 94.41 % degradation of norfloxacin (10 mg/L) within 120 min under visible light (λ > 420 nm), with an apparent rate constant (<em>k</em> = 0.02618 min⁻¹), 4.83 times higher than BiVO<sub>4</sub> and 2.44 times higher than g-C<sub>3</sub>N<sub>4</sub>. EPR and radical trapping analyses identified •OH and •O₂⁻ as the dominant reactive species, while mechanistic evidence confirmed a direct Z-scheme charge transfer pathway enabling efficient carrier separation and strong redox capability. Integrating this rationally designed photocatalyst with machine-learning prediction (<em>R</em><sup>2</sup> = 0.8558, RMSE = 0.0510) establishes a data-driven framework for performance optimization. This study provides both a mechanistic insight and an intelligent design paradigm for next-generation photocatalysts targeting efficient degradation of emerging contaminants.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106514"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518246","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}
Pub Date : 2026-04-01Epub Date: 2025-11-07DOI: 10.1016/j.jtice.2025.106511
Hui Xu , Jun Ni , Meng Liu , Dongxue Han , Lichao Tan , Wenli Zhang , Xiaoliang Wu , Xin Wang
Background
Developing porous carbon materials with abundant accessible active sites and fast charge-transfer kinetics still remains a significant challenge.
Methods
Herein, boron-enriched edge-nitrogen doped porous carbon nanosheets (BNPC) were prepared by electrostatic self-assembly of chitin and graphene oxide using boric acid as a boron source followed by carbonization. Boron-enriched edge-type N functional groups with porous nanosheet-like structure and high specific surface area ensure more accessible active sites and rapid charge-transfer kinetics.
Significant Findings
The obtained BNPC-900 shows a specific capacity of 367.0 F g−1 at 0.5 A g−1, outstanding rate characteristics, and superior electrochemical stability. Furthermore, the constructed BNPC-900//BNPC-900 symmetric supercapacitor displays an energy density of 28.6 Wh kg−1 and superior electrochemical steadiness. More interestingly, the Zn//ZnSO4//BNPC-900 hybrid capacitor achieves an energy density of 106.9 Wh kg−1 and outstanding electrochemical stability.
开发具有丰富活性位点和快速电荷转移动力学的多孔碳材料仍然是一个重大挑战。方法以硼酸为硼源,通过静电自组装甲壳素和氧化石墨烯制备富硼边氮掺杂多孔碳纳米片(BNPC)。富硼的边缘型N官能团具有多孔纳米片状结构和高比表面积,确保了更容易接近的活性位点和快速的电荷转移动力学。在0.5 a g−1下,BNPC-900的比容量为367.0 F g−1,具有出色的速率特性和优异的电化学稳定性。此外,所构建的BNPC-900//BNPC-900对称超级电容器具有28.6 Wh kg−1的能量密度和优异的电化学稳定性。更有趣的是,Zn//ZnSO4//BNPC-900混合电容器的能量密度达到106.9 Wh kg−1,具有出色的电化学稳定性。
{"title":"Boron-enriched edge-nitrogen doped porous carbon nanosheets as cathode for zinc-ion hybrid capacitors","authors":"Hui Xu , Jun Ni , Meng Liu , Dongxue Han , Lichao Tan , Wenli Zhang , Xiaoliang Wu , Xin Wang","doi":"10.1016/j.jtice.2025.106511","DOIUrl":"10.1016/j.jtice.2025.106511","url":null,"abstract":"<div><h3>Background</h3><div>Developing porous carbon materials with abundant accessible active sites and fast charge-transfer kinetics still remains a significant challenge.</div></div><div><h3>Methods</h3><div>Herein, boron-enriched edge-nitrogen doped porous carbon nanosheets (BNPC) were prepared by electrostatic self-assembly of chitin and graphene oxide using boric acid as a boron source followed by carbonization. Boron-enriched edge-type N functional groups with porous nanosheet-like structure and high specific surface area ensure more accessible active sites and rapid charge-transfer kinetics.</div></div><div><h3>Significant Findings</h3><div>The obtained BNPC-900 shows a specific capacity of 367.0 F g<sup>−1</sup> at 0.5 A g<sup>−1</sup>, outstanding rate characteristics, and superior electrochemical stability. Furthermore, the constructed BNPC-900//BNPC-900 symmetric supercapacitor displays an energy density of 28.6 Wh kg<sup>−1</sup> and superior electrochemical steadiness. More interestingly, the Zn//ZnSO<sub>4</sub>//BNPC-900 hybrid capacitor achieves an energy density of 106.9 Wh kg<sup>−1</sup> and outstanding electrochemical stability.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106511"},"PeriodicalIF":6.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464967","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}