Pub Date : 2025-11-12DOI: 10.1016/j.jtice.2025.106522
Thi My Huong Dinh , Quang-Vinh Le , Yi-Hua Gao , Bing-Lan Liu , Anusorn Seubsai , Chen-Yaw Chiu , Chi-Yun Wang , Shen-Long Tsai , Kuei-Hsiang Chen , Yu-Kaung Chang
Background
Regenerated cellulose (RC) nanofiber membranes are hydrophilic and renewable yet rarely provide durable, low-leaching antibacterial activity. We use Reactive Green 19 (RG19) as a chemical anchor to immobilize polyhexamethylene biguanide (PHMB) on RC, thereby creating a contact-active surface for capturing and killing Escherichia coli without biocide release.
Methods
Cellulose acetate was hydrolyzed to RC to increase surface –OH density; RG19 was grafted to introduce sulfonate (–SO₃⁻) sites; PHMB was immobilized via electrostatic/ionic interactions. SEM, FTIR, and thermal analysis verified functionalization. Antibacterial performance was evaluated using time-kill (0–120 min) and antibacterial efficiency (AE, %). Durability (5 cycles), PHMB leaching (72 h in saline), PHMB loading, and cytocompatibility were evaluated.
Significant findings
Optimized RC–RG19–PHMB membranes achieved complete E. coli inactivation within 120 min with ∼100 % AE. PHMB immobilization capacity was 0.69 mg/g; full inhibition occurred with 0.373 mg/g. Membranes maintained full antibacterial activity over five reuse cycles and showed 8.39 % PHMB leaching after 72 h in saline, consistent with strong RG19–PHMB–RC interactions and contact-active behavior. Cytocompatibility remained high (≥ 100 % relative viability). Overall, RG19-anchored PHMB on RC yields a sustainable, reusable, non-leaching antibacterial platform applicable to wound dressings, protective fabrics, antimicrobial coatings, and water purification.
{"title":"Reactive Green 19–anchored poly(hexamethylene biguanide) on regenerated cellulose nanofiber membranes for durable, reusable antibacterial activity against E. coli","authors":"Thi My Huong Dinh , Quang-Vinh Le , Yi-Hua Gao , Bing-Lan Liu , Anusorn Seubsai , Chen-Yaw Chiu , Chi-Yun Wang , Shen-Long Tsai , Kuei-Hsiang Chen , Yu-Kaung Chang","doi":"10.1016/j.jtice.2025.106522","DOIUrl":"10.1016/j.jtice.2025.106522","url":null,"abstract":"<div><h3>Background</h3><div>Regenerated cellulose (RC) nanofiber membranes are hydrophilic and renewable yet rarely provide durable, low-leaching antibacterial activity. We use Reactive Green 19 (RG19) as a chemical anchor to immobilize polyhexamethylene biguanide (PHMB) on RC, thereby creating a contact-active surface for capturing and killing <em>Escherichia coli</em> without biocide release.</div></div><div><h3>Methods</h3><div>Cellulose acetate was hydrolyzed to RC to increase surface –OH density; RG19 was grafted to introduce sulfonate (–SO₃⁻) sites; PHMB was immobilized via electrostatic/ionic interactions. SEM, FTIR, and thermal analysis verified functionalization. Antibacterial performance was evaluated using time-kill (0–120 min) and antibacterial efficiency (<em>AE</em>, %). Durability (5 cycles), PHMB leaching (72 h in saline), PHMB loading, and cytocompatibility were evaluated.</div></div><div><h3>Significant findings</h3><div>Optimized RC–RG19–PHMB membranes achieved complete <em>E. coli</em> inactivation within 120 min with ∼100 % <em>AE</em>. PHMB immobilization capacity was 0.69 mg/g; full inhibition occurred with 0.373 mg/g. Membranes maintained full antibacterial activity over five reuse cycles and showed 8.39 % PHMB leaching after 72 h in saline, consistent with strong RG19–PHMB–RC interactions and contact-active behavior. Cytocompatibility remained high (≥ 100 % relative viability). Overall, RG19-anchored PHMB on RC yields a sustainable, reusable, non-leaching antibacterial platform applicable to wound dressings, protective fabrics, antimicrobial coatings, and water purification.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106522"},"PeriodicalIF":6.3,"publicationDate":"2025-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518247","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 : 2025-11-12DOI: 10.1016/j.jtice.2025.106523
Yunjing Li , Yangrui Xu , Jie Chen , Yuchen Wang , Yu Cheng , Liguang Tang , Hongping Li , Jie Jin , Xinlin Liu , Ziyang Lu
Background
Tetracycline (TC) a common antibiotic. However, its residues in the environment can cause water pollution, posing potential threats to the ecological environment and human health.
Methods
In this study, a novel BSM-PDI photocatalyst was hydrothermally synthesized by modifying perylene diimide (PDI) with bagasse-derived material (BSM) through hydrochloric acid-mediated strategy.
Significant Findings
During synthesis, surface hydroxyl groups on BSM condensed with PDI carboxyl groups, forming Si-O-C covalent bonds that enhanced stability and transformed PDI stacking from disordered J-aggregates to planar H-aggregates, strengthening π-π conjugation. Furthermore, BSM hydroxyls promoted TC adsorption via hydrogen bonding. The modified BSM-PDI demonstrated strengthened visible light absorption capacity, enhanced charge separation and transfer performance, and a more negative LUMO level, facilitating oxygen reduction to ·O₂- for TC degradation. Under visible light, BSM-PDI achieved 62.37% TC degradation within 10 min, representing a 5.07-fold and 3.41-fold increase over unmodified PDI and N-PDI, respectively. In this study, biomass waste was used to develop new photocatalytic materials, which provided a new idea for the efficient elimination of TC residues in water.
{"title":"The dual strategy of hydroxylation modified Si-O-C bond cooperation and π-π stacking: Efficient photocatalytic degradation of tetracycline","authors":"Yunjing Li , Yangrui Xu , Jie Chen , Yuchen Wang , Yu Cheng , Liguang Tang , Hongping Li , Jie Jin , Xinlin Liu , Ziyang Lu","doi":"10.1016/j.jtice.2025.106523","DOIUrl":"10.1016/j.jtice.2025.106523","url":null,"abstract":"<div><h3>Background</h3><div>Tetracycline (TC) a common antibiotic. However, its residues in the environment can cause water pollution, posing potential threats to the ecological environment and human health.</div></div><div><h3>Methods</h3><div>In this study, a novel BSM-PDI photocatalyst was hydrothermally synthesized by modifying perylene diimide (PDI) with bagasse-derived material (BSM) through hydrochloric acid-mediated strategy.</div></div><div><h3>Significant Findings</h3><div>During synthesis, surface hydroxyl groups on BSM condensed with PDI carboxyl groups, forming Si-O-C covalent bonds that enhanced stability and transformed PDI stacking from disordered J-aggregates to planar H-aggregates, strengthening π-π conjugation. Furthermore, BSM hydroxyls promoted TC adsorption via hydrogen bonding. The modified BSM-PDI demonstrated strengthened visible light absorption capacity, enhanced charge separation and transfer performance, and a more negative LUMO level, facilitating oxygen reduction to ·O₂<sup>-</sup> for TC degradation. Under visible light, BSM-PDI achieved 62.37% TC degradation within 10 min, representing a 5.07-fold and 3.41-fold increase over unmodified PDI and N-PDI, respectively. In this study, biomass waste was used to develop new photocatalytic materials, which provided a new idea for the efficient elimination of TC residues in water.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106523"},"PeriodicalIF":6.3,"publicationDate":"2025-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518314","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 : 2025-11-12DOI: 10.1016/j.jtice.2025.106475
Yih-Wen Wang , Hung-Yang Tsai , Chin-Lung Chiang
Background
Thermoplastic polyurethane (TPU) is extensively applied in many fields. Nevertheless, it is highly flammable. The development of efficient environmental friendly flame retardants for TPU is essential.
Method
A novel green bio-based flame retardant containing bamboo, nitrogen and phosphorus was prepared. The thermal degradation of epoxy composite was recorded on a thermogravimetric analyzer. The degraded products were analyzed by TGA/FT-IR. LOI was investigated by an apparatus in accordance with standard ASTM D2863–97. The UL-94 vertical burning test was measured by an apparatus in accordance with standard ASTM D3801–10. A cone calorimeter was used to measure the flammability characteristics following ISO-5660. X-ray photoelectron spectroscopy (XPS) was adopted to determine char composition. The morphology of the fractured surface of the composites was studied under a scanning electron microscope (SEM). Raman spectra were recorded using a Raman spectrometer. Tensile strength tests were conducted according to ASTM D638 standard.
Significant findings
Compared with pure TPU, the composite enhanced the LOI value from 22 % to 33 % and improved the UL-94 rating from failure to a V-0 rating. The results of a cone calorimeter test demonstrated reductions in the peak heat release rate, total heat release, peak smoke production rate, and total smoke production by 43.68 %, 46.44 %, 49.41 %, and 32.63 %, respectively. These findings confirm that the fire safety of the novel bamboo- cyanuric chloride (CNC) - ammonium polyphosphate (APP) flame retardant is greatly superior to that of pure TPU.
{"title":"Study on preparation and fire safety performance of eco-friendly bio-based flame retardant thermoplastic polyurethane composites using recycled bamboo chopsticks","authors":"Yih-Wen Wang , Hung-Yang Tsai , Chin-Lung Chiang","doi":"10.1016/j.jtice.2025.106475","DOIUrl":"10.1016/j.jtice.2025.106475","url":null,"abstract":"<div><h3>Background</h3><div>Thermoplastic polyurethane (TPU) is extensively applied in many fields. Nevertheless, it is highly flammable. The development of efficient environmental friendly flame retardants for TPU is essential.</div></div><div><h3>Method</h3><div>A novel green bio-based flame retardant containing bamboo, nitrogen and phosphorus was prepared. The thermal degradation of epoxy composite was recorded on a thermogravimetric analyzer. The degraded products were analyzed by TGA/FT-IR. LOI was investigated by an apparatus in accordance with standard ASTM D2863–97. The UL-94 vertical burning test was measured by an apparatus in accordance with standard ASTM D3801–10. A cone calorimeter was used to measure the flammability characteristics following ISO-5660. X-ray photoelectron spectroscopy (XPS) was adopted to determine char composition. The morphology of the fractured surface of the composites was studied under a scanning electron microscope (SEM). Raman spectra were recorded using a Raman spectrometer. Tensile strength tests were conducted according to ASTM D638 standard.</div></div><div><h3>Significant findings</h3><div>Compared with pure TPU, the composite enhanced the LOI value from 22 % to 33 % and improved the UL-94 rating from failure to a V-0 rating. The results of a cone calorimeter test demonstrated reductions in the peak heat release rate, total heat release, peak smoke production rate, and total smoke production by 43.68 %, 46.44 %, 49.41 %, and 32.63 %, respectively. These findings confirm that the fire safety of the novel bamboo- cyanuric chloride (CNC) - ammonium polyphosphate (APP) flame retardant is greatly superior to that of pure TPU.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106475"},"PeriodicalIF":6.3,"publicationDate":"2025-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518245","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 : 2025-11-11DOI: 10.1016/j.jtice.2025.106521
Yaoyao Huang , Ran Li , Junxuan Chen , Jinmei Deng , Zhenyi Leng , Fenglan Lu , Yuanfei Mei , Wei Fan , Liang Ao , Yongqiang Li , Huaili Zheng
Background
Efficient lead extraction and recovery from wastewater are crucial for advancing sustainable metal recycling and reducing environmental pollution.
Method
Herein, a chitosan-TMA composite (CSTA) was synthesized via one-step cross-linking of chitosan with trimesic acid, exhibiting superior Pb(II) adsorption selectivity and capacity in aqueous solutions.
Significant Findings
The experimental results showed that the maximum adsorption capacity of CSTA for Pb(II) reached 98.59 mg/g at the optimal pH value of 6.0, which was much higher than that of unmodified chitosan (17.62 mg/g). Further investigation of the adsorption process revealed that the Pb(II) adsorption behavior on CSTA followed the pseudo-second-order kinetic model, suggesting a predominantly chemisorption-controlled process, and conformed to the Langmuir adsorption isotherm model with a theoretical maximum capacity of 104.17 mg/g at room temperature. Competitive adsorption experiments in a multi-cation solution (containing Zn2+, Cu2+, Ni2+, Co2+, Sr2+, Cd2+, and Ag+, pH 6.0) demonstrated CSTA's exceptional selectivity for lead, achieving a high adsorption capacity of 96.33 mg/g, significantly surpassing that of other metal ions. Combined experimental and characterization analyses revealed that Pb(II) removal primarily occurs via coordination with oxygen atoms from carboxylic acid groups in TMA. This work provides both an effective adsorbent for lead-contaminated wastewater treatment and mechanistic insights for designing biomass-based water purification materials.
{"title":"Preparation of trimesic acid cross-linked chitosan adsorbent and its selective separation performance for lead ions","authors":"Yaoyao Huang , Ran Li , Junxuan Chen , Jinmei Deng , Zhenyi Leng , Fenglan Lu , Yuanfei Mei , Wei Fan , Liang Ao , Yongqiang Li , Huaili Zheng","doi":"10.1016/j.jtice.2025.106521","DOIUrl":"10.1016/j.jtice.2025.106521","url":null,"abstract":"<div><h3>Background</h3><div>Efficient lead extraction and recovery from wastewater are crucial for advancing sustainable metal recycling and reducing environmental pollution.</div></div><div><h3>Method</h3><div>Herein, a chitosan-TMA composite (CSTA) was synthesized via one-step cross-linking of chitosan with trimesic acid, exhibiting superior Pb(II) adsorption selectivity and capacity in aqueous solutions.</div></div><div><h3>Significant Findings</h3><div>The experimental results showed that the maximum adsorption capacity of CSTA for Pb(II) reached 98.59 mg/g at the optimal pH value of 6.0, which was much higher than that of unmodified chitosan (17.62 mg/g). Further investigation of the adsorption process revealed that the Pb(II) adsorption behavior on CSTA followed the pseudo-second-order kinetic model, suggesting a predominantly chemisorption-controlled process, and conformed to the Langmuir adsorption isotherm model with a theoretical maximum capacity of 104.17 mg/g at room temperature. Competitive adsorption experiments in a multi-cation solution (containing Zn<sup>2+</sup>, Cu<sup>2+</sup>, Ni<sup>2+</sup>, Co<sup>2+</sup>, Sr<sup>2+</sup>, Cd<sup>2+</sup>, and Ag<sup>+</sup>, pH 6.0) demonstrated CSTA's exceptional selectivity for lead, achieving a high adsorption capacity of 96.33 mg/g, significantly surpassing that of other metal ions. Combined experimental and characterization analyses revealed that Pb(II) removal primarily occurs via coordination with oxygen atoms from carboxylic acid groups in TMA. This work provides both an effective adsorbent for lead-contaminated wastewater treatment and mechanistic insights for designing biomass-based water purification materials.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106521"},"PeriodicalIF":6.3,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518316","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}
Corrosion of brass in saline environments poses significant challenges, especially in industries that depend on metal durability. This study introduces two newly synthesized water-soluble organic compounds, 5-(((R)-2‑hydroxy-2-((2R,3S,4R,5S)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethoxy)methyl)quinoline-8-ol (P3) and 5-(((R)-2-((2R,3S,4R,5S)-4,5-dimethoxy-3-(tetradecyloxy)tetrahydrofuran-2-yl)-2-hydroxyethoxy)methyl)quinolin-8-ol (P4), as corrosion inhibitors. These compounds are designed leverage their structural features and solubility to improve adsorption on brass surfaces, thereby preventing corrosion in saline conditions. The study evaluates their practical application and explores the molecular mechanisms behind their protective behavior.
Methods
Corrosion inhibition by P3 and P4 was evaluated in a 3 % NaCl solution using potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Surface morphology and protective layers characteristics were examined using scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS). Computational techniques such as Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations, were used to analyze molecular interactions at the atomic level.
Significant Findings
Both P3 and P4 demonstrated excellent inhibition efficiencies, with P4 reaching 97.6 % at a 10–3 M. Electrochemical analyses revealed that both act as mixed-type inhibitors via adsorption mechanisms consistent with the Langmuir isotherm. Surface analysis confirmed the formation of protective film. Computational simulations supported experimental results by findings revealing strong molecular interactions with the brass surface.
{"title":"Electrochemical and theoretical insight into the corrosion inhibition of brass by water-soluble organic compounds in 3 % NaCl solution","authors":"Khadija Dahmani , Zakia Aribou , Otmane Kharbouch , Issam Saber , Nordine Er-rahmany , Mouhsine Galai , Mohamed Rbaa , Hamed A. El-Serehy , Abdelkarim Chaouiki , Mohamed Ebn Touhami , Mohammed cherkaoui","doi":"10.1016/j.jtice.2025.106505","DOIUrl":"10.1016/j.jtice.2025.106505","url":null,"abstract":"<div><h3>Background</h3><div>Corrosion of brass in saline environments poses significant challenges, especially in industries that depend on metal durability. This study introduces two newly synthesized water-soluble organic compounds, 5-(((<em>R</em>)-2‑hydroxy-2-((2R,3S,4R,5S)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethoxy)methyl)quinoline-8-ol (P3) and 5-(((<em>R</em>)-2-((2R,3S,4R,5S)-4,5-dimethoxy-3-(tetradecyloxy)tetrahydrofuran-2-yl)-2-hydroxyethoxy)methyl)quinolin-8-ol (P4), as corrosion inhibitors. These compounds are designed leverage their structural features and solubility to improve adsorption on brass surfaces, thereby preventing corrosion in saline conditions. The study evaluates their practical application and explores the molecular mechanisms behind their protective behavior.</div></div><div><h3>Methods</h3><div>Corrosion inhibition by P3 and P4 was evaluated in a 3 % NaCl solution using potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Surface morphology and protective layers characteristics were examined using scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS). Computational techniques such as Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations, were used to analyze molecular interactions at the atomic level.</div></div><div><h3>Significant Findings</h3><div>Both P3 and P4 demonstrated excellent inhibition efficiencies, with P4 reaching 97.6 % at a 10<sup>–3</sup> M. Electrochemical analyses revealed that both act as mixed-type inhibitors via adsorption mechanisms consistent with the Langmuir isotherm. Surface analysis confirmed the formation of protective film. Computational simulations supported experimental results by findings revealing strong molecular interactions with the brass surface.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106505"},"PeriodicalIF":6.3,"publicationDate":"2025-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516960","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 : 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":"2025-11-08","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 : 2025-11-08DOI: 10.1016/j.jtice.2025.106513
Yunyu Guo , Lihua Wang , Xun Hu , Chao Li , Yueyue Song , Wenjian Liu , Yangfan Zhang , Shu Zhang , Lijun Zhang
Background
Volatiles-char interaction is a well-known phenomenon in biomass pyrolysis/gasification, and hence biochar might also facilitate gasification of reaction intermediates in steam reforming of organics.
Methods
Herein, steam reforming of acetic acid, ethanol, or acetone was performed over Ni/Mg-Al with biochar as a top-layer catalyst, aiming to probe influence of biochar on evolution of intermediate products and coking on lower-layer Ni/Mg-Al. The results showed that, regardless of reactants, presence of biochar did promote catalytic activity for steam reforming.
Significant findings
Measurement of intermediates in reforming with in-situ IR exhibited that gasification of intermediates with functionalities like C = C or C-O-C with biochar was enhanced. This diminished formation of precursors of coke on lower-layer Ni/Mg-Al, decreasing coke formation by 22.9 % with acetic acid as a reactant, 11.6 % with ethanol, or 7.0 % with acetone. The coke formed from the dual catalyst system also had higher aromatic degree and higher resistivity towards oxidation. Additionally, deoxygenation and dehydrogenation of reaction intermediates also formed coke of highly aromatic nature on surface of biochar, which changed propensity of intermediate organics towards coking over lower-layer Ni/Mg-Al.
挥发分-炭相互作用是生物质热解/气化过程中一个众所周知的现象，因此生物炭也可能促进有机物蒸汽重整反应中间体的气化。方法以生物炭为顶层催化剂，在Ni/Mg-Al上进行醋酸、乙醇或丙酮的水蒸气重整，探讨生物炭对中间体产物演化和下层Ni/Mg-Al焦化的影响。结果表明，无论反应物如何，生物炭的存在确实促进了蒸汽重整的催化活性。原位红外对重整过程中中间体的测量表明，具有C = C或C- o -C等官能团的中间体与生物炭的气化作用增强。这减少了下层Ni/Mg-Al上焦炭前体的形成，以乙酸为反应物时焦炭形成减少22.9%，以乙醇为11.6%，以丙酮为7.0%。双催化剂体系生成的焦炭具有较高的芳香度和抗氧化性。此外，反应中间体的脱氧脱氢也在生物炭表面形成了高芳香性质的焦炭，改变了中间体有机物在下层Ni/Mg-Al上的结焦倾向。
{"title":"Biochar as a guard catalyst for diminishing coking via enhancing gasification of reaction intermediates in steam reforming of biomass derivatives","authors":"Yunyu Guo , Lihua Wang , Xun Hu , Chao Li , Yueyue Song , Wenjian Liu , Yangfan Zhang , Shu Zhang , Lijun Zhang","doi":"10.1016/j.jtice.2025.106513","DOIUrl":"10.1016/j.jtice.2025.106513","url":null,"abstract":"<div><h3>Background</h3><div>Volatiles-char interaction is a well-known phenomenon in biomass pyrolysis/gasification, and hence biochar might also facilitate gasification of reaction intermediates in steam reforming of organics.</div></div><div><h3>Methods</h3><div>Herein, steam reforming of acetic acid, ethanol, or acetone was performed over Ni/Mg-Al with biochar as a top-layer catalyst, aiming to probe influence of biochar on evolution of intermediate products and coking on lower-layer Ni/Mg-Al. The results showed that, regardless of reactants, presence of biochar did promote catalytic activity for steam reforming.</div></div><div><h3>Significant findings</h3><div>Measurement of intermediates in reforming with <em>in-situ</em> IR exhibited that gasification of intermediates with functionalities like <em>C</em> = <em>C</em> or C-O-C with biochar was enhanced. This diminished formation of precursors of coke on lower-layer Ni/Mg-Al, decreasing coke formation by 22.9 % with acetic acid as a reactant, 11.6 % with ethanol, or 7.0 % with acetone. The coke formed from the dual catalyst system also had higher aromatic degree and higher resistivity towards oxidation. Additionally, deoxygenation and dehydrogenation of reaction intermediates also formed coke of highly aromatic nature on surface of biochar, which changed propensity of intermediate organics towards coking over lower-layer Ni/Mg-Al.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106513"},"PeriodicalIF":6.3,"publicationDate":"2025-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518315","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 : 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":"2025-11-07","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}
Pub Date : 2025-11-06DOI: 10.1016/j.jtice.2025.106492
Larissa L. Fernandes , Abir Boublia , Jean Wilfried Hounfodji , Beatris L. Mello , Vladimir Lavayen , Pascal S. Thue , Rafael A. Delucis , Moaaz K. Seliem , Glaydson S. dos Reis , Michael Badawi , Eder C. Lima
Background
The widespread presence of diclofenac (DCF), a nonsteroidal anti-inflammatory drug, in aquatic environments emphasizes notable environmental concerns due to its persistence and ecotoxicity.
Methods
In this study, a new composite adsorbent (C16mim@cell) was developed by coating nanocrystalline cellulose with the ionic liquid 1-hexadecyl-3-methylimidazolium chloride (C16mim) using an ultrasonic-assisted impregnation method. The resulting composite was characterized using SEM, TEM, FTIR, XRD, TGA, and XPS analysis. The removal of DCF was investigated through batch adsorption experiments. Additionally, periodic density functional theory (DFT) simulations were employed to examine the interaction between DCF and the C16mim@cell surface.
Significant Findings
The C16mim@cell composite showed rapid DCF removal, reaching equilibrium in <10 min with a maximum adsorption capacity (Qmax) of 78.37 mg. g−1 at 20 °C. The kinetic data best matched the fractal-like pseudo-first-order (FPFO) model, indicating heterogeneous surface interactions. The Liu isotherm model provided the best fit for the equilibrium data. Thermodynamic analysis confirmed the process is spontaneous and exothermic (ΔH°= -20.74 kJ mol-1), driven by physical adsorption. DFT simulations showed that DCF binds to the surface of the adsorbent via π–π stacking, hydrogen bonding, and electrostatic interactions. The composite achieved over 95 % removal efficiency in simulated pharmaceutical effluents and can be fully regenerated using mild saline eluents, maintaining effectiveness through multiple cycles. These results demonstrate C16mim@cell's potential as a fast, reusable, and sustainable method for removing pharmaceutical pollutants from water.
{"title":"Removal of diclofenac using a 1-hexadecyl-3-methylimidazolium/cellulose composite as an adsorbent","authors":"Larissa L. Fernandes , Abir Boublia , Jean Wilfried Hounfodji , Beatris L. Mello , Vladimir Lavayen , Pascal S. Thue , Rafael A. Delucis , Moaaz K. Seliem , Glaydson S. dos Reis , Michael Badawi , Eder C. Lima","doi":"10.1016/j.jtice.2025.106492","DOIUrl":"10.1016/j.jtice.2025.106492","url":null,"abstract":"<div><h3>Background</h3><div>The widespread presence of diclofenac (DCF), a nonsteroidal anti-inflammatory drug, in aquatic environments emphasizes notable environmental concerns due to its persistence and ecotoxicity.</div></div><div><h3>Methods</h3><div>In this study, a new composite adsorbent (C16mim@cell) was developed by coating nanocrystalline cellulose with the ionic liquid 1-hexadecyl-3-methylimidazolium chloride (C16mim) using an ultrasonic-assisted impregnation method. The resulting composite was characterized using SEM, TEM, FTIR, XRD, TGA, and XPS analysis. The removal of DCF was investigated through batch adsorption experiments. Additionally, periodic density functional theory (DFT) simulations were employed to examine the interaction between DCF and the C16mim@cell surface.</div></div><div><h3>Significant Findings</h3><div>The C16mim@cell composite showed rapid DCF removal, reaching equilibrium in <10 min with a maximum adsorption capacity (Q<sub>max</sub>) of 78.37 mg. g<sup>−1</sup> at 20 °C. The kinetic data best matched the fractal-like pseudo-first-order (FPFO) model, indicating heterogeneous surface interactions. The Liu isotherm model provided the best fit for the equilibrium data. Thermodynamic analysis confirmed the process is spontaneous and exothermic (ΔH°= -20.74 kJ mol<sup>-1</sup>), driven by physical adsorption. DFT simulations showed that DCF binds to the surface of the adsorbent via π–π stacking, hydrogen bonding, and electrostatic interactions. The composite achieved over 95 % removal efficiency in simulated pharmaceutical effluents and can be fully regenerated using mild saline eluents, maintaining effectiveness through multiple cycles. These results demonstrate C16mim@cell's potential as a fast, reusable, and sustainable method for removing pharmaceutical pollutants from water.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"180 ","pages":"Article 106492"},"PeriodicalIF":6.3,"publicationDate":"2025-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145463523","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}
This study elucidated the adsorption mechanism of polyepoxysuccinic acid (PESA) on sphalerite (ZnS) surfaces and its consequential effect on the flotation-based separation of sphalerite from chalcopyrite.
Methods
Micro-flotation experiments, contact angle measurements, adsorption behavior studies, and zeta potential analysis were conducted. Density Functional Theory (DFT) calculations, X-ray Photoelectron Spectroscopy (XPS), and Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) were employed to investigate the interaction mechanism.
Findings
PESA selectively depressed sphalerite, reducing its recovery to <4 % at pH 7 while chalcopyrite recovery remained above 91 %, facilitating efficient separation. PESA enhanced sphalerite hydrophilicity, decreasing the contact angle from 56.32° to 22.67°. Adsorption and zeta potential analyses demonstrated competitive adsorption between PESA and SBX on sphalerite, but preferential SBX adsorption on chalcopyrite. DFT revealed strong carboxyl–Zn coordination (−74.86 kJ/mol) at bridge sites, corroborated by XPS shifts in Zn 2p and enrichment of O–CO, as well as ToF-SIMS detection of PESA–Zn fragments. These findings establish PESA as an environmentally benign, selective depressant, enabling sustainable Cu–Zn separation under low-alkali conditions.
{"title":"Adsorption mechanism of polyepoxysuccinic acid on the sphalerite surface and its effect on flotation separation","authors":"Jiaxi Jin, Hao Lai, Yuyang Xiao, Xuemei Lu, Peilun Shen, Jinpeng Cai, Xiao Wei, Dianwen Liu","doi":"10.1016/j.jtice.2025.106518","DOIUrl":"10.1016/j.jtice.2025.106518","url":null,"abstract":"<div><h3>Background</h3><div>This study elucidated the adsorption mechanism of polyepoxysuccinic acid (PESA) on sphalerite (ZnS) surfaces and its consequential effect on the flotation-based separation of sphalerite from chalcopyrite.</div></div><div><h3>Methods</h3><div>Micro-flotation experiments, contact angle measurements, adsorption behavior studies, and zeta potential analysis were conducted. Density Functional Theory (DFT) calculations, X-ray Photoelectron Spectroscopy (XPS), and Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) were employed to investigate the interaction mechanism.</div></div><div><h3>Findings</h3><div>PESA selectively depressed sphalerite, reducing its recovery to <4 % at pH 7 while chalcopyrite recovery remained above 91 %, facilitating efficient separation. PESA enhanced sphalerite hydrophilicity, decreasing the contact angle from 56.32° to 22.67°. Adsorption and zeta potential analyses demonstrated competitive adsorption between PESA and SBX on sphalerite, but preferential SBX adsorption on chalcopyrite. DFT revealed strong carboxyl–Zn coordination (−74.86 kJ/mol) at bridge sites, corroborated by XPS shifts in Zn 2p and enrichment of O–C<img>O, as well as ToF-SIMS detection of PESA–Zn fragments. These findings establish PESA as an environmentally benign, selective depressant, enabling sustainable Cu–Zn separation under low-alkali conditions.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"181 ","pages":"Article 106518"},"PeriodicalIF":6.3,"publicationDate":"2025-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464901","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}
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