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From prediction to design: An XGBoost-genetic algorithm framework for high-performance ionic liquids design in CO2 capture blends 从预测到设计:用于CO2捕集混合物中高性能离子液体设计的xgboost遗传算法框架
IF 8.6 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-08 DOI: 10.1016/j.seppur.2026.137192
Guiyang Ye, Zhouhong Li, Yongwen Xu, Zhengrui Li, Tengxian Qin, Jiaoying Huang, Zhi Yang, Junyao Wang
Amine-ionic liquid (Amine-IL) blends combine the high CO2 absorption of alkanolamines with the stability of ionic liquids for efficient carbon capture and reduced energy consumption. In this study, we developed an inverse design framework that integrates machine learning and a genetic algorithm (GA) for the intelligent design of high-performance ionic liquids. The framework uses an XGBoost model to predict CO2 absorption capacity, employs SHAP analysis to elucidate structure-property relationships, and leverages the GA for molecular structure optimization aimed at maximizing CO2 loading. Systematic evaluation of 12 MDEA-IL blends (867 experimental data points) shows that the comparison between the group contribution method and RDKit descriptors yields similar accuracy in predicting CO2 absorption capacity, thereby validating the rationality of the selected molecular fragments. SHAP analysis identifies pressure as the most influential parameter and highlights the positive contribution of CH2 group to CO2 loading. Under simulated flue gas conditions, the framework successfully designs novel ionic liquids, with a candidate consisting of [Im13]+ and [Ac] achieving optimal CO2 loading (1.1048–1.1212 mol/mol) across all pressure regimes, outperforming existing benchmark systems.
{"title":"From prediction to design: An XGBoost-genetic algorithm framework for high-performance ionic liquids design in CO2 capture blends","authors":"Guiyang Ye, Zhouhong Li, Yongwen Xu, Zhengrui Li, Tengxian Qin, Jiaoying Huang, Zhi Yang, Junyao Wang","doi":"10.1016/j.seppur.2026.137192","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.137192","url":null,"abstract":"Amine-ionic liquid (Amine-IL) blends combine the high CO<sub>2</sub> absorption of alkanolamines with the stability of ionic liquids for efficient carbon capture and reduced energy consumption. In this study, we developed an inverse design framework that integrates machine learning and a genetic algorithm (GA) for the intelligent design of high-performance ionic liquids. The framework uses an XGBoost model to predict CO<sub>2</sub> absorption capacity, employs SHAP analysis to elucidate structure-property relationships, and leverages the GA for molecular structure optimization aimed at maximizing CO<sub>2</sub> loading. Systematic evaluation of 12 MDEA-IL blends (867 experimental data points) shows that the comparison between the group contribution method and RDKit descriptors yields similar accuracy in predicting CO<sub>2</sub> absorption capacity, thereby validating the rationality of the selected molecular fragments. SHAP analysis identifies pressure as the most influential parameter and highlights the positive contribution of CH<sub>2</sub> group to CO<sub>2</sub> loading. Under simulated flue gas conditions, the framework successfully designs novel ionic liquids, with a candidate consisting of [Im<sub>13</sub>]<sup>+</sup> and [Ac]<sup>−</sup> achieving optimal CO<sub>2</sub> loading (1.1048–1.1212 mol/mol) across all pressure regimes, outperforming existing benchmark systems.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"6 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Surface engineering of aluminum-coated açaí biochar via magnetron sputtering for high clorazepate and diclofenac adsorption 铝包覆açaí生物炭磁控溅射吸附高氯氮卓酸和双氯芬酸的表面工程
IF 8.6 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-08 DOI: 10.1016/j.seppur.2026.137156
Ronaldo Antunes Funari Junior, Sabrina Frantz Lütke, Jonder Morais, Maria do Carmo Martins Alves, Marcos Leandro Silva Oliveira, Eduardo Nuno Borges Pereira, Lucas Antônio Fantinel, Lucas David Biondo, Marcelo Godinho, Cesar Aguzzoli, Guilherme Luiz Dotto
This study evaluates the surface modification of açaí biochar (Al@BC) by aluminum coating via magnetron sputtering, aiming to improve its adsorption performance of clorazepate (CZ) and diclofenac (DC) from aqueous solutions. Sputtering power conditions of 100 W, 150 W, and 200 W were applied, obtaining, respectively, 0.22%, 0.40%, and 3.41% of Al-covering for the adsorbents named Al@100 W, Al@150 W, and Al@200 W. Kinetic analyses fitted to the pseudo-first-order model showed excellent agreement with the experimental data, with better predictive accuracy, particularly for DC. Adsorption equilibrium was achieved at 120 min for CZ and 60 min for DC. Equilibrium isotherms exhibited L2-type profile, suggesting strong adsorbate–adsorbent affinity. The Sips model best described the equilibrium data, evidencing a heterogeneous adsorption process promoted by aluminum deposition. Decreasing Sips (m) parameters with increasing sputtering power reflected enhanced surface heterogeneity and adsorption favorability. The maximum adsorption capacities reached were 260.7 mg g−1 for CZ and 277.5 mg g−1 for DC onto Al@200 W, representing an improvement of about 35% compared to raw biochar. Regeneration tests showed excellent reusability through the first five cycles; thereafter, coating deterioration greatly diminished the material's efficacy. Finally, magnetron sputtering proved to be an effective strategy, confirming that adsorption efficiency was governed by both aluminum loading and surface chemical modification, thereby enhancing adsorption capacity, affinity, and durability toward pharmaceutical contaminants.
{"title":"Surface engineering of aluminum-coated açaí biochar via magnetron sputtering for high clorazepate and diclofenac adsorption","authors":"Ronaldo Antunes Funari Junior, Sabrina Frantz Lütke, Jonder Morais, Maria do Carmo Martins Alves, Marcos Leandro Silva Oliveira, Eduardo Nuno Borges Pereira, Lucas Antônio Fantinel, Lucas David Biondo, Marcelo Godinho, Cesar Aguzzoli, Guilherme Luiz Dotto","doi":"10.1016/j.seppur.2026.137156","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.137156","url":null,"abstract":"This study evaluates the surface modification of açaí biochar (<em>Al@BC</em>) by aluminum coating via magnetron sputtering, aiming to improve its adsorption performance of clorazepate (CZ) and diclofenac (DC) from aqueous solutions. Sputtering power conditions of 100 W, 150 W, and 200 W were applied, obtaining, respectively, 0.22%, 0.40%, and 3.41% of Al-covering for the adsorbents named <em>Al@100 W</em>, <em>Al@150 W</em>, and <em>Al@200 W</em>. Kinetic analyses fitted to the pseudo-first-order model showed excellent agreement with the experimental data, with better predictive accuracy, particularly for DC. Adsorption equilibrium was achieved at 120 min for CZ and 60 min for DC. Equilibrium isotherms exhibited L2-type profile, suggesting strong adsorbate–adsorbent affinity. The Sips model best described the equilibrium data, evidencing a heterogeneous adsorption process promoted by aluminum deposition. Decreasing Sips (<span><span><math><mi is=\"true\">m</mi></math></span><script type=\"math/mml\"><math><mi is=\"true\">m</mi></math></script></span>) parameters with increasing sputtering power reflected enhanced surface heterogeneity and adsorption favorability. The maximum adsorption capacities reached were 260.7 mg g<sup>−1</sup> for CZ and 277.5 mg g<sup>−1</sup> for DC onto <em>Al@200 W</em>, representing an improvement of about 35% compared to raw biochar. Regeneration tests showed excellent reusability through the first five cycles; thereafter, coating deterioration greatly diminished the material's efficacy. Finally, magnetron sputtering proved to be an effective strategy, confirming that adsorption efficiency was governed by both aluminum loading and surface chemical modification, thereby enhancing adsorption capacity, affinity, and durability toward pharmaceutical contaminants.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"30 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Boosting photothermal mineralization of toluene by Fe2O3/Co3O4 p-n heterojunctions: Accelerating activation of oxygen species through interfacial coupling effect Fe2O3/Co3O4 p-n异质结促进甲苯的光热矿化:通过界面耦合效应加速氧的活化
IF 8.6 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-08 DOI: 10.1016/j.seppur.2026.137166
Yi Liu, Guangmei Gan, Juyuan Xing, Junting Wang, Yuan Li, Gaoke Zhang
The effective activation of oxygen species through the interface coupling effect of catalysts to achieve photothermal toluene mineralization remains a major challenge. Herein, a p-n heterojunction catalyst composed of Co3O4 and Fe2O3 with strong interfacial coupling effect was rationally synthesized to overcome the intrinsic limitations, thereby achieving efficient photothermal mineralization of toluene. Under full-spectrum irradiation (350 mW/cm2), the Fe2O3/Co3O4 (0.15-FCO) p-n heterojunction achieved a toluene conversion rate of 99.72% and a CO2 yield of 87.94%, outperforming individual oxides. Comprehensive structural analysis show that the heterojunction formation elongated and weakened the Cosingle bondO bond induced by Fe2O3, thereby exposing Co3+ sites and promoting the generation of oxygen vacancies. Benefiting from interfacial coupling effect triggered by electronic modulation, 0.15-FCO enhances the adsorption and activation of O2 and toluene as further corroborated by DFT calculations. Besides, the appropriate band potentials of the p-n heterojunction facilitated charge carrier migration and activation of molecular oxygen. The results of in-situ DRIFTS further demonstrate that the incorporation of Fe2O3 promotes the oxidative conversion of intermediates on Co3O4 through interfacial charge transfer and sustaining active oxygen species generation. Overall, this study highlights that strengthening interfacial coupling in oxide materials is a viable strategy for efficient photothermal VOCs oxidation.
{"title":"Boosting photothermal mineralization of toluene by Fe2O3/Co3O4 p-n heterojunctions: Accelerating activation of oxygen species through interfacial coupling effect","authors":"Yi Liu, Guangmei Gan, Juyuan Xing, Junting Wang, Yuan Li, Gaoke Zhang","doi":"10.1016/j.seppur.2026.137166","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.137166","url":null,"abstract":"The effective activation of oxygen species through the interface coupling effect of catalysts to achieve photothermal toluene mineralization remains a major challenge. Herein, a p-n heterojunction catalyst composed of Co<sub>3</sub>O<sub>4</sub> and Fe<sub>2</sub>O<sub>3</sub> with strong interfacial coupling effect was rationally synthesized to overcome the intrinsic limitations, thereby achieving efficient photothermal mineralization of toluene. Under full-spectrum irradiation (350 mW/cm<sup>2</sup>), the Fe<sub>2</sub>O<sub>3</sub>/Co<sub>3</sub>O<sub>4</sub> (0.15-FCO) p-n heterojunction achieved a toluene conversion rate of 99.72% and a CO<sub>2</sub> yield of 87.94%, outperforming individual oxides. Comprehensive structural analysis show that the heterojunction formation elongated and weakened the Co<img alt=\"single bond\" src=\"https://sdfestaticassets-us-east-1.sciencedirectassets.com/shared-assets/55/entities/sbnd.gif\" style=\"vertical-align:middle\"/>O bond induced by Fe<sub>2</sub>O<sub>3</sub>, thereby exposing Co<sup>3+</sup> sites and promoting the generation of oxygen vacancies. Benefiting from interfacial coupling effect triggered by electronic modulation, 0.15-FCO enhances the adsorption and activation of O<sub>2</sub> and toluene as further corroborated by DFT calculations. Besides, the appropriate band potentials of the p-n heterojunction facilitated charge carrier migration and activation of molecular oxygen. The results of in-situ DRIFTS further demonstrate that the incorporation of Fe<sub>2</sub>O<sub>3</sub> promotes the oxidative conversion of intermediates on Co<sub>3</sub>O<sub>4</sub> through interfacial charge transfer and sustaining active oxygen species generation. Overall, this study highlights that strengthening interfacial coupling in oxide materials is a viable strategy for efficient photothermal VOCs oxidation.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"312 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Innovative RO-only approach for efficient urea management in ultrapure water production from municipal wastewater reuse 创新的RO-only方法在城市废水回用的超纯水生产中高效尿素管理
IF 8.6 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-07 DOI: 10.1016/j.seppur.2026.137167
Chulmin Lee, Iiyama masamitsu
Urea is a recalcitrant, electrically neutral low-molecular-weight TOC component in municipal reclaimed water and a critical barrier for semiconductor ultrapure water (UPW) systems targeting sub-ppb TOC. This study evaluates a membrane-first, RO-only strategy as a chemical-free, “drop-in” upgrade to existing two-pass RO trains, avoiding dedicated urea-removal units (e.g., BAC, AOP, oxidation). Four commercial elements (TBW-HR, TMG(D), TM800M, and NRSP-UBT) were benchmarked at bench-scale using 4-in. modules under an equal-flux basis. Neutral-solute transport was parameterized by an apparent urea permeability, Burea , derived from the observed urea rejection. A mobile pilot treating reclaimed municipal water then tested five two-pass configurations. The NRSP-UBT/NRSP-UBT train achieved the highest urea rejection (>93.9%) at a total operating pressure of ~2.5 MPa, corresponding to an estimated SEC of ~0.6 kWh/m3 under the assumed recovery and pump efficiency. A simple two-pass prediction framework using bench-derived Burea  reproduced configuration-dependent pilot trends while acknowledging expected scale effects in 8-in. multi-element vessels. The results define a robust operating envelope for RO-only urea control under high-quality reclaimed feeds (8–10 ppb baseline) and typical excursions (20–50 ppb), enabling reduced chemical use, footprint, and cost in next-generation UPW infrastructure.
{"title":"Innovative RO-only approach for efficient urea management in ultrapure water production from municipal wastewater reuse","authors":"Chulmin Lee, Iiyama masamitsu","doi":"10.1016/j.seppur.2026.137167","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.137167","url":null,"abstract":"Urea is a recalcitrant, electrically neutral low-molecular-weight TOC component in municipal reclaimed water and a critical barrier for semiconductor ultrapure water (UPW) systems targeting sub-ppb TOC. This study evaluates a membrane-first, RO-only strategy as a chemical-free, “drop-in” upgrade to existing two-pass RO trains, avoiding dedicated urea-removal units (e.g., BAC, AOP, oxidation). Four commercial elements (TBW-HR, TMG(D), TM800M, and NRSP-UBT) were benchmarked at bench-scale using 4-in. modules under an equal-flux basis. Neutral-solute transport was parameterized by an apparent urea permeability, B<sub>urea</sub> <!-- -->, derived from the observed urea rejection. A mobile pilot treating reclaimed municipal water then tested five two-pass configurations. The NRSP-UBT/NRSP-UBT train achieved the highest urea rejection (&gt;93.9%) at a total operating pressure of ~2.5 MPa, corresponding to an estimated SEC of ~0.6 kWh/m<sup>3</sup> under the assumed recovery and pump efficiency. A simple two-pass prediction framework using bench-derived B<sub>urea</sub> <!-- --> reproduced configuration-dependent pilot trends while acknowledging expected scale effects in 8-in. multi-element vessels. The results define a robust operating envelope for RO-only urea control under high-quality reclaimed feeds (8–10 ppb baseline) and typical excursions (20–50 ppb), enabling reduced chemical use, footprint, and cost in next-generation UPW infrastructure.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"241 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enriching trace protein peptides from extract liquid with foaming deep eutectic solvent (FDES)-loaded effervescent discs 用含泡沫深共溶溶剂(FDES)的泡腾盘富集萃取液中的微量蛋白肽
IF 8.6 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-07 DOI: 10.1016/j.seppur.2026.137181
Xinlu Li, Yong Cao, Jie Tang, Yihan Zhao, Subhan Mahmood, Shun Yao
Snake shedding skin (snake molt) exhibits good potential for nutritional and functional applications, yet current methods for sustainable and efficient extraction of protein peptides from such an animal raw material are relatively limited. Herein, we reported novel foaming deep eutectic solvents (FDES) loaded effervescent discs for enriching target protein peptides in hydrolyzed extract of snake molt. Two kinds of natural sweeteners were used in the FDESs, which played an important role on foam stabilization and endowed FDESs with higher biocompatibility. After comprehensive characterizations, the discs exhibited good properties and expected forming performance. Under the ideal conditions, the effervescent discs enriched 91.40% protein peptides within 4 min, which was much higher than the alcohol precipitation method (40.12% within 3 d) and the aqueous two-phase system (80.67% within 1 h). Green assessment and scale-up experiments were also carried out for possible actual applications. Finally, the enriched product was analyzed by comprehensive physicochemical characterizations confirmed structural integrity and performance. The developed method offers a rapid, sustainable approach for obtaining peptides from natural products.
{"title":"Enriching trace protein peptides from extract liquid with foaming deep eutectic solvent (FDES)-loaded effervescent discs","authors":"Xinlu Li, Yong Cao, Jie Tang, Yihan Zhao, Subhan Mahmood, Shun Yao","doi":"10.1016/j.seppur.2026.137181","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.137181","url":null,"abstract":"Snake shedding skin (snake molt) exhibits good potential for nutritional and functional applications, yet current methods for sustainable and efficient extraction of protein peptides from such an animal raw material are relatively limited. Herein, we reported novel foaming deep eutectic solvents (FDES) loaded effervescent discs for enriching target protein peptides in hydrolyzed extract of snake molt. Two kinds of natural sweeteners were used in the FDESs, which played an important role on foam stabilization and endowed FDESs with higher biocompatibility. After comprehensive characterizations, the discs exhibited good properties and expected forming performance. Under the ideal conditions, the effervescent discs enriched 91.40% protein peptides within 4 min, which was much higher than the alcohol precipitation method (40.12% within 3 d) and the aqueous two-phase system (80.67% within 1 h). Green assessment and scale-up experiments were also carried out for possible actual applications. Finally, the enriched product was analyzed by comprehensive physicochemical characterizations confirmed structural integrity and performance. The developed method offers a rapid, sustainable approach for obtaining peptides from natural products.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"312 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Faceted Bi2O2CO3 with Au@Mn3O4-induced dipole resonance for efficient photocatalytic NO/clothianidin oxidation 面Bi2O2CO3与Au@Mn3O4-induced偶极共振有效光催化NO/噻虫胺氧化
IF 8.6 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-06 DOI: 10.1016/j.seppur.2026.137173
Xiaoming Xu, Jiaying Huang, Xianhui Zhu, Bing Liu, Ziyi Huang, Yijin Jia, Yike Zhang, Cheng Sun
Efficient photocatalytic air and water remediation was limited by the trade-off between redox potential and spectral response. Herein, an Au/faceted Bi2O2CO3@Mn3O4 core@shell heterostructure was engineered for enhanced NO oxidation and clothianidin (CLO) degradation. Specifically, the interleaved slit architecture of Bi2O2CO3 with exposed {001} facets enhanced light scattering and surface energy, promoting visible light absorption and oxidation reactions. Notably, plasmonic Au nanoparticles synergized with Mn3O4 to induce dipole resonance due to symmetry of the electric field vector, amplifying the local electric field and broadening the spectral response. Meanwhile, Au mediated charge redistribution between Mn3O4 and faceted Bi2O2CO3, generating a giant internal electric field (IEF) that accelerated charge separation. Consequently, the heterostructure achieved 73.2% NO removal with 93.5% NO3 selectivity and minimal NO2 formation (28.6 ppb), as well as 95.6% CLO degradation under visible light, ultimately converting into non-toxic products, which exceeded reported benchmarks. The enhanced activity originated from Mn3O4/Au-induced dipole resonance–assisted Z-scheme charge transfer combined with IEF-driven carrier separation and prolonged lifetimes. The catalyst also exhibited excellent cycling stability, highlighting its promise for air and water purification.
{"title":"Faceted Bi2O2CO3 with Au@Mn3O4-induced dipole resonance for efficient photocatalytic NO/clothianidin oxidation","authors":"Xiaoming Xu, Jiaying Huang, Xianhui Zhu, Bing Liu, Ziyi Huang, Yijin Jia, Yike Zhang, Cheng Sun","doi":"10.1016/j.seppur.2026.137173","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.137173","url":null,"abstract":"Efficient photocatalytic air and water remediation was limited by the trade-off between redox potential and spectral response. Herein, an Au/faceted Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub>@Mn<sub>3</sub>O<sub>4</sub> core@shell heterostructure was engineered for enhanced NO oxidation and clothianidin (CLO) degradation. Specifically, the interleaved slit architecture of Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub> with exposed {001} facets enhanced light scattering and surface energy, promoting visible light absorption and oxidation reactions. Notably, plasmonic Au nanoparticles synergized with Mn<sub>3</sub>O<sub>4</sub> to induce dipole resonance due to symmetry of the electric field vector, amplifying the local electric field and broadening the spectral response. Meanwhile, Au mediated charge redistribution between Mn<sub>3</sub>O<sub>4</sub> and faceted Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub>, generating a giant internal electric field (IEF) that accelerated charge separation. Consequently, the heterostructure achieved 73.2% NO removal with 93.5% NO<sub>3</sub><sup>−</sup> selectivity and minimal NO<sub>2</sub> formation (28.6 ppb), as well as 95.6% CLO degradation under visible light, ultimately converting into non-toxic products, which exceeded reported benchmarks. The enhanced activity originated from Mn<sub>3</sub>O<sub>4</sub>/Au-induced dipole resonance–assisted <em>Z</em>-scheme charge transfer combined with IEF-driven carrier separation and prolonged lifetimes. The catalyst also exhibited excellent cycling stability, highlighting its promise for air and water purification.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"44 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enabling ultra-low-temperature NH3-SCR with superior H2O/SO2 resistance by a sandwich-structured ERI@CoFe-MnOx@Cor monolithic catalyst 通过三明治结构ERI@CoFe-MnOx@Cor单片催化剂实现超低温NH3-SCR具有优异的耐H2O/SO2性能
IF 8.6 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-06 DOI: 10.1016/j.seppur.2026.137174
Yuhan Li, Juntao Wang, Liwei Xu, Haixin Shan, Yemei Liu, Na Hu, Xiangshu Chen
The development of NH3-SCR catalysts that simultaneously achieve high activity at ultra-low temperatures (<150 °C) and possess robust resistance to H2O and SO2 poisoning remains a significant challenge. In this work, a novel sandwich-structured monolithic catalyst, denoted as ERI@Co1.0Fe0.6-MnOx@Cor (where ERI stands for erionite), was successfully fabricated. This was achieved by sequentially constructing a CoFe-MnOx intermediate catalytic layer via an impregnation-coprecipitation method and an outer zeolite ERI shell through a dip-coating process on the cordierite support. The optimized catalyst exhibits exceptional NOx conversion (>95%) within a broad temperature window of 150–350 °C, achieving complete conversion (100%) at 150 °C. More importantly, the sandwich structure endows the catalyst with superior resistance to H2O and SO2, maintaining over 90% NOx conversion at 150–250 °C even in the presence of 5 vol% H2O and/or 100 ppm SO2. This performance is significantly superior to that of all previously reported counterparts. Characterization results revealed that the Co–Fe–Mn ternary synergy enhances redox properties via increased Mn4+ and chemisorbed oxygen concentrations, while the ERI zeolite shell as a protective barrier was identified as the key factor responsible for the enhanced medium-strength acid sites and exceptional poisoning resistance. Combined with its regenerable stability, this work provides a novel strategy for designing high-performance monolithic SCR catalysts for practical low-temperature applications.
{"title":"Enabling ultra-low-temperature NH3-SCR with superior H2O/SO2 resistance by a sandwich-structured ERI@CoFe-MnOx@Cor monolithic catalyst","authors":"Yuhan Li, Juntao Wang, Liwei Xu, Haixin Shan, Yemei Liu, Na Hu, Xiangshu Chen","doi":"10.1016/j.seppur.2026.137174","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.137174","url":null,"abstract":"The development of NH<sub>3</sub>-SCR catalysts that simultaneously achieve high activity at ultra-low temperatures (&lt;150 °C) and possess robust resistance to H<sub>2</sub>O and SO<sub>2</sub> poisoning remains a significant challenge. In this work, a novel sandwich-structured monolithic catalyst, denoted as ERI@Co<sub>1.0</sub>Fe<sub>0.6</sub>-MnO<sub>x</sub>@Cor (where ERI stands for erionite), was successfully fabricated. This was achieved by sequentially constructing a CoFe-MnO<sub>x</sub> intermediate catalytic layer via an impregnation-coprecipitation method and an outer zeolite ERI shell through a dip-coating process on the cordierite support. The optimized catalyst exhibits exceptional NO<sub>x</sub> conversion (&gt;95%) within a broad temperature window of 150–350 °C, achieving complete conversion (100%) at 150 °C. More importantly, the sandwich structure endows the catalyst with superior resistance to H<sub>2</sub>O and SO<sub>2</sub>, maintaining over 90% NO<sub>x</sub> conversion at 150–250 °C even in the presence of 5 vol% H<sub>2</sub>O and/or 100 ppm SO<sub>2</sub>. This performance is significantly superior to that of all previously reported counterparts. Characterization results revealed that the Co–Fe–Mn ternary synergy enhances redox properties via increased Mn<sup>4+</sup> and chemisorbed oxygen concentrations, while the ERI zeolite shell as a protective barrier was identified as the key factor responsible for the enhanced medium-strength acid sites and exceptional poisoning resistance. Combined with its regenerable stability, this work provides a novel strategy for designing high-performance monolithic SCR catalysts for practical low-temperature applications.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"48 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135586","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Carbon-based catalysts for CO2 hydrogenation to C1 products: mechanisms, materials, and prospects 二氧化碳加氢制C1产物的碳基催化剂:机理、材料及前景
IF 8.6 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-06 DOI: 10.1016/j.seppur.2026.137175
Han Yan, Zejin Zhao, Rui Han, Lifei Wei, Gaoqi Han, Yuhan Ba, Chunfeng Song, Qingling Liu
Carbon-based catalysts have received much attention in the field of catalysis due to their excellent electrical conductivity, high specific surface area, good chemical stability, and thermal conductivity, particularly for CO2 conversion. Carbon materials as catalyst supports enhance CO2 hydrogenation by leveraging their excellent electrical/thermal conductivity to facilitate electron transfer and heat dispersion. At the same time, their high specific surface area and porous structure provide abundant active sites. They also maintain stable mechanical properties under harsh conditions, synergistically boosting conversion efficiency and product selectivity. This review examines the use of carbon materials as catalytic supports for the thermal hydrogenation of CO2 to C1 products. Initially, we elucidate the mechanism by which carbon-based support promotes the CO2 hydrogenation reaction. Subsequently, the synthesis method of various carbon-based catalyst composites designed for the thermal hydrogenation of CO2 was summarised. Furthermore, we provide a comprehensive comparison of the catalytic activity and selectivity of carbon-supported catalysts, offering insights into how different dimensions of carbon-based carriers influence the catalytic performance toward the production of methane, methanol, formic acid, and carbon monoxide. Lastly, the paper highlights the current challenges and prospective research directions for the research of carbon-based catalysts in CO2 conversion reactions, paving the way for innovative strategies to address global carbon neutrality and sustainable energy conversion through advanced CO2 utilisation technologies.
{"title":"Carbon-based catalysts for CO2 hydrogenation to C1 products: mechanisms, materials, and prospects","authors":"Han Yan, Zejin Zhao, Rui Han, Lifei Wei, Gaoqi Han, Yuhan Ba, Chunfeng Song, Qingling Liu","doi":"10.1016/j.seppur.2026.137175","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.137175","url":null,"abstract":"Carbon-based catalysts have received much attention in the field of catalysis due to their excellent electrical conductivity, high specific surface area, good chemical stability, and thermal conductivity, particularly for CO<sub>2</sub> conversion. Carbon materials as catalyst supports enhance CO<sub>2</sub> hydrogenation by leveraging their excellent electrical/thermal conductivity to facilitate electron transfer and heat dispersion. At the same time, their high specific surface area and porous structure provide abundant active sites. They also maintain stable mechanical properties under harsh conditions, synergistically boosting conversion efficiency and product selectivity. This review examines the use of carbon materials as catalytic supports for the thermal hydrogenation of CO<sub>2</sub> to C1 products. Initially, we elucidate the mechanism by which carbon-based support promotes the CO<sub>2</sub> hydrogenation reaction. Subsequently, the synthesis method of various carbon-based catalyst composites designed for the thermal hydrogenation of CO<sub>2</sub> was summarised. Furthermore, we provide a comprehensive comparison of the catalytic activity and selectivity of carbon-supported catalysts, offering insights into how different dimensions of carbon-based carriers influence the catalytic performance toward the production of methane, methanol, formic acid, and carbon monoxide. Lastly, the paper highlights the current challenges and prospective research directions for the research of carbon-based catalysts in CO<sub>2</sub> conversion reactions, paving the way for innovative strategies to address global carbon neutrality and sustainable energy conversion through advanced CO<sub>2</sub> utilisation technologies.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"39 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Simultaneous removal of Cd (II) and benzo(a)pyrene complex pollution in a Fe1-xS@kaolinite/peroxymonosulfate system Fe1-xS@kaolinite/过氧单硫酸盐体系中同时去除Cd (II)和苯并(a)芘络合物污染
IF 8.6 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-05 DOI: 10.1016/j.seppur.2026.137100
Xinlin Wang, Chunquan Li, Jinpan Li, Wanshu Chen, Wanjie Wang, Meng Yuan, Kai Wang, Fang Yuan, Hongqi Sun, Zhiming Sun
The coexistence of heavy metals and organic contaminants in wastewater poses severe risks to public health and environmental sustainability. Iron sulfide (FeS) has attracted widespread attention for its potential in addressing such complex pollution, but suffers from the tendency to agglomerate and instability, which may lead to unsatisfactory remediation efficiencies. Herein, a novel Fe1-xS/kaolinite composite (Fe1-xS@K), derived from the transformation of FeS/kaolinite (FeS@K) material in an acidic condition, demonstrates efficient simultaneous removal of Cd(II) and benzo(a)pyrene (B[a]P) by ensuring excellent dispersion and stability. Notably, the 0.6-Fe1-xS@K/peroxymonosulfate (PMS) system removed 96.9% of Cd2+ and 98.9% of B[a]P within 20 min, respectively. Mechanism analysis revealed that kaolinite modulates the particle size of Fe1-xS to effectively minimize the agglomeration, thereby facilitating the activation of PMS and enhancing both thermal and chemical stability. This significantly boosts the generation of reactive oxygen species (ROS), e.g., SO4⋅−, OH, 1O2, and O2 in the degradation system, thus exhibits an exceptional potential for natural water and wastewater treatment due to its broad resistance to environmental interference. This work exemplifies a highly efficient sulfate radical-based advanced oxidation process for the removal of complex contaminants in water treatment.
废水中重金属和有机污染物的共存对公众健康和环境可持续性构成严重威胁。硫化铁(FeS)因其在解决此类复杂污染方面的潜力而受到广泛关注,但其存在结块和不稳定的倾向,可能导致修复效率不理想。本文研究了一种新型的Fe1-xS/高岭石复合材料(Fe1-xS@K),该复合材料是由FeS/高岭石(FeS@K)材料在酸性条件下转化而来的,通过保证优异的分散性和稳定性,可以有效地同时去除Cd(II)和苯并(a)芘(B[a]P)。值得注意的是,0.6-Fe1-xS@K/过氧单硫酸盐(PMS)体系在20 min内分别去除了96.9%的Cd2+和98.9%的B[a]P。机理分析表明,高岭石通过调节Fe1-xS的粒径,有效地减少了Fe1-xS的团聚,从而促进了PMS的活化,提高了PMS的热稳定性和化学稳定性。这显著促进了降解系统中活性氧(ROS)的生成,如SO4⋅−、⋅OH、1O2和⋅O2−,因此由于其对环境干扰的广泛抵抗,在自然水和废水处理中表现出非凡的潜力。这项工作举例说明了一种高效的硫酸盐基高级氧化工艺,用于去除水处理中的复杂污染物。
{"title":"Simultaneous removal of Cd (II) and benzo(a)pyrene complex pollution in a Fe1-xS@kaolinite/peroxymonosulfate system","authors":"Xinlin Wang, Chunquan Li, Jinpan Li, Wanshu Chen, Wanjie Wang, Meng Yuan, Kai Wang, Fang Yuan, Hongqi Sun, Zhiming Sun","doi":"10.1016/j.seppur.2026.137100","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.137100","url":null,"abstract":"The coexistence of heavy metals and organic contaminants in wastewater poses severe risks to public health and environmental sustainability. Iron sulfide (FeS) has attracted widespread attention for its potential in addressing such complex pollution, but suffers from the tendency to agglomerate and instability, which may lead to unsatisfactory remediation efficiencies. Herein, a novel Fe<sub>1-x</sub>S/kaolinite composite (Fe<sub>1-x</sub>S@K), derived from the transformation of FeS/kaolinite (FeS@K) material in an acidic condition, demonstrates efficient simultaneous removal of Cd(II) and benzo(<em>a</em>)pyrene (B[<em>a</em>]P) by ensuring excellent dispersion and stability. Notably, the 0.6-Fe<sub>1-x</sub>S@K/peroxymonosulfate (PMS) system removed 96.9% of Cd<sup>2+</sup> and 98.9% of B[<em>a</em>]P within 20 min, respectively. Mechanism analysis revealed that kaolinite modulates the particle size of Fe<sub>1-x</sub>S to effectively minimize the agglomeration, thereby facilitating the activation of PMS and enhancing both thermal and chemical stability. This significantly boosts the generation of reactive oxygen species (ROS), e.g., SO<sub>4</sub><sup>⋅−</sup>, <sup>⋅</sup>OH, <sup>1</sup>O<sub>2</sub>, and <sup>⋅</sup>O<sub>2</sub><sup>−</sup> in the degradation system, thus exhibits an exceptional potential for natural water and wastewater treatment due to its broad resistance to environmental interference. This work exemplifies a highly efficient sulfate radical-based advanced oxidation process for the removal of complex contaminants in water treatment.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"6 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146115825","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Boosted H2O2 activation to dissociated hydroxyl radical by regulating B sites in copper-based delafossite for contaminants degradation: Key role on adsorption configuration and occurrence forms 通过调节铜基沉积中B位点促进H2O2活化解离羟基自由基降解污染物:对吸附结构和发生形式的关键作用
IF 8.6 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-05 DOI: 10.1016/j.seppur.2026.137120
Jiang Li, Haoran Zhang, Sihao Fu, Yunfei Wang, Kun Liu, Yujiao Liu, Tianjie Su, Lingyu Meng, Guocheng Liu, Qinghua Yan, Chengzhi Zhou, Yanjun Xin, Shuaishuai Xin
Regulating the activation of hydrogen peroxide (H2O2) through constructing efficient metal catalysts is extensively utilized in various oxidation reaction processes. However, the exploration of the intrinsic mechanism for enhancing the effective activation of H2O2 at metal sites still faces challenges. Herein, the adsorption configuration and occurrence forms of H2O2 on B site in copper-based delafossite (CuBO2, Bdouble bondMn, Fe and Co) were demonstrated to be the core factor affecting H2O2 activation to generate specific radical for doxycycline hydrochloride (DOH) degradation. The phytotoxicity and antimicrobial activity of DOH was significantly reduced by H2O2 activated on Mn sites compared with Fe and Co sites. The Mn sites facilitated charge transfer between the copper-based delafossite and H2O2, and overcame the lower energy barrier (0.233 eV) of H2O2 to transition state than Fe site (0.421 eV) and Co site (0.418 eV). The longest bond length of Osingle bondO and the shortest bond length of Osingle bondH in H2O2 adsorbed on Mn sites promoted H2O2 activation to OH, whereas H2O2 adsorbed on Fe site and Co site were more easily decomposed into HO2/O2 radicals or O2 by breaking Osingle bondH bonds. The excessively weak binding force of Mn site promoted diffusion of OH into solution for dissociated OH generation, which was also confirmed by the results of experimental tests. The developed flow activated H2O2 device with CuMnO2 in-situ grown on copper foam (CuMnO2/Cu foam) as catalyst showed superior treatment performance of various refractory organic contaminants and anti-interference ability. The successful trial operation of flow activated H2O2 device paves the way for promoting water purification and solving the problem of catalyst separation in purified water.
{"title":"Boosted H2O2 activation to dissociated hydroxyl radical by regulating B sites in copper-based delafossite for contaminants degradation: Key role on adsorption configuration and occurrence forms","authors":"Jiang Li, Haoran Zhang, Sihao Fu, Yunfei Wang, Kun Liu, Yujiao Liu, Tianjie Su, Lingyu Meng, Guocheng Liu, Qinghua Yan, Chengzhi Zhou, Yanjun Xin, Shuaishuai Xin","doi":"10.1016/j.seppur.2026.137120","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.137120","url":null,"abstract":"Regulating the activation of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) through constructing efficient metal catalysts is extensively utilized in various oxidation reaction processes. However, the exploration of the intrinsic mechanism for enhancing the effective activation of H<sub>2</sub>O<sub>2</sub> at metal sites still faces challenges. Herein, the adsorption configuration and occurrence forms of H<sub>2</sub>O<sub>2</sub> on B site in copper-based delafossite (CuBO<sub>2</sub>, B<img alt=\"double bond\" src=\"https://sdfestaticassets-us-east-1.sciencedirectassets.com/shared-assets/55/entities/dbnd.gif\" style=\"vertical-align:middle\"/>Mn, Fe and Co) were demonstrated to be the core factor affecting H<sub>2</sub>O<sub>2</sub> activation to generate specific radical for doxycycline hydrochloride (DOH) degradation. The phytotoxicity and antimicrobial activity of DOH was significantly reduced by H<sub>2</sub>O<sub>2</sub> activated on Mn sites compared with Fe and Co sites. The Mn sites facilitated charge transfer between the copper-based delafossite and H<sub>2</sub>O<sub>2</sub>, and overcame the lower energy barrier (0.233 eV) of H<sub>2</sub>O<sub>2</sub> to transition state than Fe site (0.421 eV) and Co site (0.418 eV). The longest bond length of O<img alt=\"single bond\" src=\"https://sdfestaticassets-us-east-1.sciencedirectassets.com/shared-assets/55/entities/sbnd.gif\" style=\"vertical-align:middle\"/>O and the shortest bond length of O<img alt=\"single bond\" src=\"https://sdfestaticassets-us-east-1.sciencedirectassets.com/shared-assets/55/entities/sbnd.gif\" style=\"vertical-align:middle\"/>H in H<sub>2</sub>O<sub>2</sub> adsorbed on Mn sites promoted H<sub>2</sub>O<sub>2</sub> activation to <sup>•</sup>OH, whereas H<sub>2</sub>O<sub>2</sub> adsorbed on Fe site and Co site were more easily decomposed into HO<sub>2</sub><sup>•</sup>/<sup>•</sup>O<sub>2</sub><sup>−</sup> radicals or O<sub>2</sub> by breaking O<img alt=\"single bond\" src=\"https://sdfestaticassets-us-east-1.sciencedirectassets.com/shared-assets/55/entities/sbnd.gif\" style=\"vertical-align:middle\"/>H bonds. The excessively weak binding force of Mn site promoted diffusion of <sup>•</sup>OH into solution for dissociated <sup>•</sup>OH generation, which was also confirmed by the results of experimental tests. The developed flow activated H<sub>2</sub>O<sub>2</sub> device with CuMnO<sub>2</sub> in-situ grown on copper foam (CuMnO<sub>2</sub>/Cu foam) as catalyst showed superior treatment performance of various refractory organic contaminants and anti-interference ability. The successful trial operation of flow activated H<sub>2</sub>O<sub>2</sub> device paves the way for promoting water purification and solving the problem of catalyst separation in purified water.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"28 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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