Pub Date : 2026-01-14DOI: 10.1016/j.seppur.2026.136901
Yao Huang, Xiaohua Tian, Wenjie Wang, Senbai Geng, Yue Ma, Jiangdong Dai, Jianming Pan
The highly selective separation of bioactive molecules from complex structural analogs still faces significant challenges. Herein, a novel molecularly imprinted aerogel microspheres adsorbent (BC/TA-Fe-MIPs) with a three-dimensional ordered porous structure was successfully fabricated using bacterial cellulose (BC) and tannic acid (TA) as building blocks by sequential assembly of ice-crystal-confined metal coordination crosslinking, template molecular adsorption, and glutaraldehyde covalent crosslinking, for the selective adsorption of cordycepin (COR). The results indicated that BC/TA-Fe-MIPs exhibited a high adsorption capacity (159.32 μmol g−1 based on the Langmuir model) and an outstanding imprinting factor (2.57) toward COR. Furthermore, BC/TA-Fe-MIPs demonstrated superior selectivity for COR compared to its structural analogs, with a selectivity coefficient of 1.93 for its isomer 2′-deoxyadenosine. XPS analysis confirmed that the recognition mechanism was primarily governed by hydrogen bonding between the phenolic hydroxyl groups of TA and COR. In addition, BC/TA-Fe-MIPs maintained over 85% of their initial capacity after five adsorption-desorption cycles and successfully enriched COR from cordyceps flower extract. All of these suggest that the BC/TA-Fe-MIPs developed in a green and easy synthesis process show great potential as a stable and selective adsorbent for the purification of cordycepin. Moreover, this work presents a feasible strategy for constructing high-performance separation materials from natural building blocks for adsorption and separation applications.
生物活性分子与复杂结构类似物的高选择性分离仍然面临重大挑战。本文以细菌纤维素（BC）和单宁酸（TA）为基础，通过冰晶限制金属配位交联、模板分子吸附和戊二醛共价交联的顺序组装，成功制备了具有三维有序多孔结构的新型分子印迹气凝胶微球吸附剂（BC/TA- fe - mips），用于虫草素（COR）的选择性吸附。结果表明，BC/TA-Fe-MIPs具有较高的吸附量（基于Langmuir模型为159.32 μmol g−1）和对COR的印迹因子（2.57），并且BC/TA-Fe-MIPs对COR的选择性优于其结构类似物，其对2′-脱氧腺苷的选择性系数为1.93。通过XPS分析证实，BC/TA- fe - mips的识别机制主要由TA和COR的酚羟基之间的氢键控制。此外，经过5次吸附-解吸循环后，BC/TA- fe - mips仍保持了85%以上的初始容量，并成功富集了冬虫草花提取物中的COR。这些结果表明，通过绿色简便的合成工艺制备的BC/TA-Fe-MIPs作为一种稳定的选择性吸附剂纯化虫草素具有很大的潜力。此外，这项工作提出了一种可行的策略，从天然构建块构建高性能的分离材料，用于吸附和分离应用。
{"title":"Bacterial cellulose/tannic acid molecularly imprinted aerogel microspheres via metal coordination and covalent sequential crosslinking for selective adsorption of Cordycepin","authors":"Yao Huang, Xiaohua Tian, Wenjie Wang, Senbai Geng, Yue Ma, Jiangdong Dai, Jianming Pan","doi":"10.1016/j.seppur.2026.136901","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.136901","url":null,"abstract":"The highly selective separation of bioactive molecules from complex structural analogs still faces significant challenges. Herein, a novel molecularly imprinted aerogel microspheres adsorbent (BC/TA-Fe-MIPs) with a three-dimensional ordered porous structure was successfully fabricated using bacterial cellulose (BC) and tannic acid (TA) as building blocks by sequential assembly of ice-crystal-confined metal coordination crosslinking, template molecular adsorption, and glutaraldehyde covalent crosslinking, for the selective adsorption of cordycepin (COR). The results indicated that BC/TA-Fe-MIPs exhibited a high adsorption capacity (159.32 μmol g<sup>−1</sup> based on the Langmuir model) and an outstanding imprinting factor (2.57) toward COR. Furthermore, BC/TA-Fe-MIPs demonstrated superior selectivity for COR compared to its structural analogs, with a selectivity coefficient of 1.93 for its isomer 2′-deoxyadenosine. XPS analysis confirmed that the recognition mechanism was primarily governed by hydrogen bonding between the phenolic hydroxyl groups of TA and COR. In addition, BC/TA-Fe-MIPs maintained over 85% of their initial capacity after five adsorption-desorption cycles and successfully enriched COR from cordyceps flower extract. All of these suggest that the BC/TA-Fe-MIPs developed in a green and easy synthesis process show great potential as a stable and selective adsorbent for the purification of cordycepin. Moreover, this work presents a feasible strategy for constructing high-performance separation materials from natural building blocks for adsorption and separation applications.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"120 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145961861","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}
Pub Date : 2026-01-13DOI: 10.1016/j.seppur.2026.136866
Hui Xu, Min Fang, Jiaxue Chen, Jinghong Chen, Xiaoyi Rong, Xiaoshuang Yin, Wenzhong Yang
Industrial expansion has led to increasing discharge of oily wastewater and frequent oil spill incidents, posing a serious threat to environmental sustainability. In this study, a hydrophobic aerogel with chemical stability and uniform structure was constructed by covalently incorporating trifluoroethyl methacrylate (TFEMA) into a poly(hydroxyethyl methacrylate) (PHEMA) network, followed by esterification grafting with stearoyl chloride (SC). Unlike conventional hydrophobic aerogels that rely on easily worn fluorosilane coatings or single hydrophobic polymer systems, this strategy achieves uniform distribution of fluorinated hydrophobic segments within the gel framework, ensuring long-term hydrophobic stability and excellent abrasion resistance. The resulting PTFEMA/PHEMA-SC aerogels exhibited well-defined three-dimensional porous structures, enhanced hydrophobicity, high oil absorption capacity (9.43–25.69 g/g), superior oil retention (97.51%), and maintained over 90% adsorption efficiency even after 10 compression-release cycles. These results demonstrate that the proposed “bulk copolymerization and surface grafting” strategy provides a feasible route for fabricating durable and sustainable hydrophobic aerogels, offering a practical alternative to traditional coating-type aerogels for oily wastewater treatment.
{"title":"Beyond surface coating: A bulk-modified and mechanically stable aerogel for sustainable oil/water separation","authors":"Hui Xu, Min Fang, Jiaxue Chen, Jinghong Chen, Xiaoyi Rong, Xiaoshuang Yin, Wenzhong Yang","doi":"10.1016/j.seppur.2026.136866","DOIUrl":"10.1016/j.seppur.2026.136866","url":null,"abstract":"<div><div>Industrial expansion has led to increasing discharge of oily wastewater and frequent oil spill incidents, posing a serious threat to environmental sustainability. In this study, a hydrophobic aerogel with chemical stability and uniform structure was constructed by covalently incorporating trifluoroethyl methacrylate (TFEMA) into a poly(hydroxyethyl methacrylate) (PHEMA) network, followed by esterification grafting with stearoyl chloride (SC). Unlike conventional hydrophobic aerogels that rely on easily worn fluorosilane coatings or single hydrophobic polymer systems, this strategy achieves uniform distribution of fluorinated hydrophobic segments within the gel framework, ensuring long-term hydrophobic stability and excellent abrasion resistance. The resulting PTFEMA/PHEMA-SC aerogels exhibited well-defined three-dimensional porous structures, enhanced hydrophobicity, high oil absorption capacity (9.43–25.69 g/g), superior oil retention (97.51%), and maintained over 90% adsorption efficiency even after 10 compression-release cycles. These results demonstrate that the proposed “bulk copolymerization and surface grafting” strategy provides a feasible route for fabricating durable and sustainable hydrophobic aerogels, offering a practical alternative to traditional coating-type aerogels for oily wastewater treatment.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"389 ","pages":"Article 136866"},"PeriodicalIF":9.0,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145961862","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}
To systematically investigate the microscopic interaction mechanisms of dust suppressants in coal-based energy materials and uncover the physicochemical origins of their performance differences, this study developed an integrated approach combining quantum chemical calculations with wavefunction analysis. A Gemini-type dust suppressant was selected as the research subject. Based on wave function analysis such as Independent Gradient Model (IGM), Electrostatic Potential Distance (PED), and electron density topology, this study reveals the spatial characteristics and essence of the interaction between dust reducing agent molecules and water. This study clarifies the spatial characteristics and essence of dust suppressant-water interactions. IGM shows twin-type GS122 has a sign(O₂)ρ value of 0.027, indicating the strongest head oxygen-water hydrogen interaction. PED analysis further confirmed that water molecules form stable dimer structures with various dust suppressants, with penetration distances of 2 × 0.74 Å, 2 × 0.88 Å, 2 × 1.22 Å, and 2 × 0.71 Å, respectively; topology analysis verifies GS122's strongest hydrogen bonding, its maximum electron density is 0.02595 a.u. (O19⋯H110) (first side). Based on the above research parameters, the order of adsorption performance of a series of dust suppression agents was accurately determined. A qualitative prediction framework for electronic structure performance of connected molecules has been constructed, the work provides a theoretical foundation and green design strategy for developing efficient and environmentally friendly dust suppressants in coal mining, supporting sustainable development goals in particulate pollution control.
{"title":"Precise control based on atomic structure: Micro adsorption behavior and structure-activity relationship of Gemini-type dust suppressant and water","authors":"Qiu Bao, Zhilin Xi, Changqi Liu, Wenjin Niu, Qifan Tian, Wen Nie","doi":"10.1016/j.seppur.2026.136889","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.136889","url":null,"abstract":"To systematically investigate the microscopic interaction mechanisms of dust suppressants in coal-based energy materials and uncover the physicochemical origins of their performance differences, this study developed an integrated approach combining quantum chemical calculations with wavefunction analysis. A Gemini-type dust suppressant was selected as the research subject. Based on wave function analysis such as Independent Gradient Model (IGM), Electrostatic Potential Distance (PED), and electron density topology, this study reveals the spatial characteristics and essence of the interaction between dust reducing agent molecules and water. This study clarifies the spatial characteristics and essence of dust suppressant-water interactions. IGM shows twin-type GS122 has a sign(O₂)<em>ρ</em> value of 0.027, indicating the strongest head oxygen-water hydrogen interaction. PED analysis further confirmed that water molecules form stable dimer structures with various dust suppressants, with penetration distances of 2 × 0.74 Å, 2 × 0.88 Å, 2 × 1.22 Å, and 2 × 0.71 Å, respectively; topology analysis verifies GS122's strongest hydrogen bonding, its maximum electron density is 0.02595 a.u. (O19⋯H110) (first side). Based on the above research parameters, the order of adsorption performance of a series of dust suppression agents was accurately determined. A qualitative prediction framework for electronic structure performance of connected molecules has been constructed, the work provides a theoretical foundation and green design strategy for developing efficient and environmentally friendly dust suppressants in coal mining, supporting sustainable development goals in particulate pollution control.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"9 1","pages":"136889"},"PeriodicalIF":8.6,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145968990","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}
Pub Date : 2026-01-13DOI: 10.1016/j.seppur.2026.136893
Yang Li , Li-Hua Wu , Wei Li , Shi-Bin Ren , De-Man Han
The recovery of gold from secondary sources has become crucial to mitigate the gradual shortage of gold in natural mines. It remains a great challenge to design a macroscopic adsorbent for gold recovery with high adsorption capacity and rapid kinetic performance without compromising their intrinsic property, such as porosity and surface accessibility. Herein, we observed that covalent organic framework (COF) aerogels exhibited significantly better gold adsorption performance than their commonly used powder forms in our experiments. Inspired by this structural advantage, we further developed a strategy for the facile preparation of a crystalline hybrid aerogel via the covalent incorporation of an amino-functionalized metal–organic framework (MOF) into a chemically stable imine-based COF aerogel. The prepared aerogel exhibited high crystallinity, robust chemical/thermal stability and a large surface area. Moreover, the hybrid aerogel possessing a hierarchically porous structure (allowing Au(III) to diffuse more rapidly), cationic sites (Zr4+) and electron-rich sites (triazine groups, amine, imine linkages and hydroxyl groups), exhibited rapid gold recovery with a high uptake capacity (2114 mg/g). Additionally, the aerogel exhibited good reusability and capable of extracting ultra-trace gold ions from diverse terrestrial water bodies including electronic waste. This work demonstrates the great potential of hybrid porous aerogels as adsorbents for the efficient recovery of gold from complex aqueous systems.
{"title":"Facile fabrication of hierarchical porous crystalline MOF-COF hybrid aerogels: activate binding sites for efficient gold recovery from electronic waste","authors":"Yang Li , Li-Hua Wu , Wei Li , Shi-Bin Ren , De-Man Han","doi":"10.1016/j.seppur.2026.136893","DOIUrl":"10.1016/j.seppur.2026.136893","url":null,"abstract":"<div><div>The recovery of gold from secondary sources has become crucial to mitigate the gradual shortage of gold in natural mines. It remains a great challenge to design a macroscopic adsorbent for gold recovery with high adsorption capacity and rapid kinetic performance without compromising their intrinsic property, such as porosity and surface accessibility. Herein, we observed that covalent organic framework (COF) aerogels exhibited significantly better gold adsorption performance than their commonly used powder forms in our experiments. Inspired by this structural advantage, we further developed a strategy for the facile preparation of a crystalline hybrid aerogel via the covalent incorporation of an amino-functionalized metal–organic framework (MOF) into a chemically stable imine-based COF aerogel. The prepared aerogel exhibited high crystallinity, robust chemical/thermal stability and a large surface area. Moreover, the hybrid aerogel possessing a hierarchically porous structure (allowing Au(III) to diffuse more rapidly), cationic sites (Zr<sup>4+</sup>) and electron-rich sites (triazine groups, amine, imine linkages and hydroxyl groups), exhibited rapid gold recovery with a high uptake capacity (2114 mg/g). Additionally, the aerogel exhibited good reusability and capable of extracting ultra-trace gold ions from diverse terrestrial water bodies including electronic waste. This work demonstrates the great potential of hybrid porous aerogels as adsorbents for the efficient recovery of gold from complex aqueous systems.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"389 ","pages":"Article 136893"},"PeriodicalIF":9.0,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145961866","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}
Pub Date : 2026-01-13DOI: 10.1016/j.seppur.2026.136890
Kun Zhao , Dehong Hu , Yuehong Zhang , Guangwen Xu , Lei Shi
The rapid growth of lithium-ion battery consumption has led to an urgent need for efficient recovery and reuse of spent electrolytes, both to reduce environmental risks and to alleviate resource pressure. In this work, a novel oxalic acid assisted hydrolysis-distillation (OAHD) process was proposed for the comprehensive recovery of lithium salts and organic solvents from LiPF6-based electrolytes. Systematic studies on reaction parameters revealed that a H2C2O4/H2O/LiPF6 molar ratio of 1:4:1 at 30 °C for 30 min enabled efficient conversion of LiPF6 into LiHC2O4·H2O. Subsequent thermal analyses confirmed that the obtained LiHC2O4·H2O could be controllably transformed into lithium oxalate or lithium carbonate, providing flexible routes for downstream utilization. For solvent recovery, a sequential strategy was adopted. Low-temperature distillation at 60–80 °C allowed selective separation of DMC and EMC. Lithium was then extracted from the residual solution through hydrolysis, and PC and EC were subsequently recovered by dehydration distillation. Characterization confirmed that the low-boiling solvents (DMC and EMC) contained negligible inorganic impurities, whereas the recovered PC and EC fractions exhibited residual Li, P, and F. Targeted post-treatment strategies such as ion exchange or adsorption are thus proposed to achieve high-purity solvent reuse. This work demonstrates the feasibility of simultaneously recovering lithium salts and organic solvents from spent electrolytes, offering both theoretical insights and practical potential for sustainable electrolyte recycling.
{"title":"Simultaneous lithium and solvents recovery from spent lithium-ion battery electrolyte: An oxalic acid assisted hydrolysis-distillation approach","authors":"Kun Zhao , Dehong Hu , Yuehong Zhang , Guangwen Xu , Lei Shi","doi":"10.1016/j.seppur.2026.136890","DOIUrl":"10.1016/j.seppur.2026.136890","url":null,"abstract":"<div><div>The rapid growth of lithium-ion battery consumption has led to an urgent need for efficient recovery and reuse of spent electrolytes, both to reduce environmental risks and to alleviate resource pressure. In this work, a novel oxalic acid assisted hydrolysis-distillation (OAHD) process was proposed for the comprehensive recovery of lithium salts and organic solvents from LiPF<sub>6</sub>-based electrolytes. Systematic studies on reaction parameters revealed that a H<sub>2</sub>C<sub>2</sub>O<sub>4</sub>/H<sub>2</sub>O/LiPF<sub>6</sub> molar ratio of 1:4:1 at 30 °C for 30 min enabled efficient conversion of LiPF<sub>6</sub> into LiHC<sub>2</sub>O<sub>4</sub>·H<sub>2</sub>O. Subsequent thermal analyses confirmed that the obtained LiHC<sub>2</sub>O<sub>4</sub>·H<sub>2</sub>O could be controllably transformed into lithium oxalate or lithium carbonate, providing flexible routes for downstream utilization. For solvent recovery, a sequential strategy was adopted. Low-temperature distillation at 60–80 °C allowed selective separation of DMC and EMC. Lithium was then extracted from the residual solution through hydrolysis, and PC and EC were subsequently recovered by dehydration distillation. Characterization confirmed that the low-boiling solvents (DMC and EMC) contained negligible inorganic impurities, whereas the recovered PC and EC fractions exhibited residual Li, P, and F. Targeted post-treatment strategies such as ion exchange or adsorption are thus proposed to achieve high-purity solvent reuse. This work demonstrates the feasibility of simultaneously recovering lithium salts and organic solvents from spent electrolytes, offering both theoretical insights and practical potential for sustainable electrolyte recycling.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"389 ","pages":"Article 136890"},"PeriodicalIF":9.0,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975402","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}
Pub Date : 2026-01-13DOI: 10.1016/j.seppur.2026.136884
Juan Liang, Zhen Chen, Beibei Li, Yilin Pan, Beijia Lin, Chun Hu, Zhihong Chen
In this study, a novel 2D/1D sheet-across-rod g-C3N4/Fe2O3 composite featuring FeN chemical bonds (CNF) was synthesized via a modulated MOF-derived method, utilizing core-shell MIL-88/g-C3N4 as the precursor. The g-C3N4 shell prevented the collapse of the rod-like structure and provided sufficient -NHx sites for coordination with Fe during the thermal conversion of MIL-88 to Fe2O3, resulting in the formation of CNF. The 2D/1D sheet-across-rod configuration of CNF reduced the charge transfer pathways from the interior to the interface, whereas the FeN bonds established direct channel for efficient S-scheme charge transfer. As a result, it was observed that CNF exhibited notably superior photocatalytic activity in the degradation of ciprofloxacin when compared to both Fe2O3 and g-C3N4. In particular, CNF-2 exhibited a photocatalytic degradation of ciprofloxacin, achieving a removal efficiency of 99.2% and rate constants of 0.0358, surpassing those of Fe2O3 and g-C3N4 by 71.6- and 2.9-fold, respectively. This study provides a beneficial insight into the design of efficient S-scheme photocatalysts, achieved through the strategic design of their structure and interfacial chemical bonding.
{"title":"Fe-N chemical bond bridging g-C3N4/Fe2O3 with 2D/1D sheet-across-rod configuration for efficient S-scheme photocatalytic removal of antibiotic","authors":"Juan Liang, Zhen Chen, Beibei Li, Yilin Pan, Beijia Lin, Chun Hu, Zhihong Chen","doi":"10.1016/j.seppur.2026.136884","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.136884","url":null,"abstract":"In this study, a novel 2D/1D sheet-across-rod g-C<sub>3</sub>N<sub>4</sub>/Fe<sub>2</sub>O<sub>3</sub> composite featuring Fe<img alt=\"single bond\" src=\"https://sdfestaticassets-us-east-1.sciencedirectassets.com/shared-assets/55/entities/sbnd.gif\" style=\"vertical-align:middle\"/>N chemical bonds (CNF) was synthesized via a modulated MOF-derived method, utilizing core-shell MIL-88/g-C<sub>3</sub>N<sub>4</sub> as the precursor. The g-C<sub>3</sub>N<sub>4</sub> shell prevented the collapse of the rod-like structure and provided sufficient -NHx sites for coordination with Fe during the thermal conversion of MIL-88 to Fe<sub>2</sub>O<sub>3</sub>, resulting in the formation of CNF. The 2D/1D sheet-across-rod configuration of CNF reduced the charge transfer pathways from the interior to the interface, whereas the Fe<img alt=\"single bond\" src=\"https://sdfestaticassets-us-east-1.sciencedirectassets.com/shared-assets/55/entities/sbnd.gif\" style=\"vertical-align:middle\"/>N bonds established direct channel for efficient S-scheme charge transfer. As a result, it was observed that CNF exhibited notably superior photocatalytic activity in the degradation of ciprofloxacin when compared to both Fe<sub>2</sub>O<sub>3</sub> and g-C<sub>3</sub>N<sub>4</sub>. In particular, CNF-2 exhibited a photocatalytic degradation of ciprofloxacin, achieving a removal efficiency of 99.2% and rate constants of 0.0358, surpassing those of Fe<sub>2</sub>O<sub>3</sub> and g-C<sub>3</sub>N<sub>4</sub> by 71.6- and 2.9-fold, respectively. This study provides a beneficial insight into the design of efficient S-scheme photocatalysts, achieved through the strategic design of their structure and interfacial chemical bonding.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"177 1","pages":"136884"},"PeriodicalIF":8.6,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145968991","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}
Clathrate hydrates provide a promising solution for biogas upgrading by selectively enriching CO molecules into the formed solid hydrates, thereby obtaining a higher purity of CH in the gas mixture. A molecular-scale understanding of the mass transfer process in the growing hydrate phase, as it absorbs different gas molecules, is critical for enhancing gas separation efficiency. Here we investigate the crystal growth mechanism of CH/CO/N mixed clathrate hydrates via molecular dynamics simulations. The results indicate that CO molecules are more likely to escape from the encapsulation by the hydrogen-bonding network, while CH and N molecules are readily incorporated into the growing hydrate phase. Despite this, due to their high solubility, CO molecules dominate the components present near the solid–liquid interface, thereby becoming successfully enriched themselves in the formed hydrate phase. The depletion of the liquid phase weakens the advantage of CO molecules and leading to an accelerated loss of CH molecules from the gas mixture. Throughout the hydrate growth process, CO molecules consistently favor to occupy the larger 5126 cages, whereas CH and N molecules initially show unbiased occupancy preference but gradually shift towards preferring the smaller 512 cages. Besides, the frequent occurrence of CH molecules near the solid–liquid interface inhibit the formation of amorphous structures. These findings further our understanding of the crystal growth mechanism of multicomponent clathrate hydrates and bring new insights into the process optimization for the hydrate-based gas separation technologies.
{"title":"Molecular insights into the competition among CH 4/CO2/N2 for forming mixed clathrate hydrates: Capturing CO2 and enhancing CH4 purity","authors":"Yong Chen , Yifan Yang , Xuebing Zhou , Cuiping Tang , Jingsheng Lu , Jinan Guan , Nengyou Wu , Xiaoya Zang , Deqing Liang","doi":"10.1016/j.seppur.2026.136876","DOIUrl":"10.1016/j.seppur.2026.136876","url":null,"abstract":"<div><div>Clathrate hydrates provide a promising solution for biogas upgrading by selectively enriching CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules into the formed solid hydrates, thereby obtaining a higher purity of CH<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> in the gas mixture. A molecular-scale understanding of the mass transfer process in the growing hydrate phase, as it absorbs different gas molecules, is critical for enhancing gas separation efficiency. Here we investigate the crystal growth mechanism of CH<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span>/CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>/N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> mixed clathrate hydrates via molecular dynamics simulations. The results indicate that CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules are more likely to escape from the encapsulation by the hydrogen-bonding network, while CH<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> and N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules are readily incorporated into the growing hydrate phase. Despite this, due to their high solubility, CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules dominate the components present near the solid–liquid interface, thereby becoming successfully enriched themselves in the formed hydrate phase. The depletion of the liquid phase weakens the advantage of CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules and leading to an accelerated loss of CH<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> molecules from the gas mixture. Throughout the hydrate growth process, CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules consistently favor to occupy the larger 5<sup>12</sup>6<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span> cages, whereas CH<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> and N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> molecules initially show unbiased occupancy preference but gradually shift towards preferring the smaller 5<sup>12</sup> cages. Besides, the frequent occurrence of CH<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> molecules near the solid–liquid interface inhibit the formation of amorphous structures. These findings further our understanding of the crystal growth mechanism of multicomponent clathrate hydrates and bring new insights into the process optimization for the hydrate-based gas separation technologies.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"389 ","pages":"Article 136876"},"PeriodicalIF":9.0,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975401","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}
Pub Date : 2026-01-13DOI: 10.1016/j.seppur.2026.136767
Alexander Schwarzwälder, Jörg Meyer, Achim Dittler
The interaction of liquid droplets with fibers is a key phenomenon in many technical applications, especially in coalescence filtration. While previous studies have addressed droplet detachment under various gas flow conditions and fiber surface properties, detailed experiments capturing the full dynamics of crossflow-induced detachment at high temporal resolution, particularly for oleophobic fibers, remain limited. In this study, we investigate the motion and detachment of individual oil droplets on a horizontally mounted, oleophobic stainless steel fiber exposed to transverse air flow at filtration-relevant velocities as low as 1.3 m s-1, representative of locally elevated velocities within fibrous filter media. Using high-speed imaging at up to 42 345 fps, we resolve the droplet dynamics, including oscillation, deformation, and necking on millisecond time scales. The individual droplets of a standard compressor oil with volume-equivalent sphere radii between 276 µm–749 µm were placed on a single oleophobic fiber with a diameter of 80 µm.
The experiments are conducted in a viscous-inertial regime characterized by moderate Weber numbers (We 3–5) and relatively high Ohnesorge numbers (Oh 0.5–1). The results reveal high-frequency oscillations up to 160 Hz for small droplets () and show that droplet detachment proceeds via ligament elongation and pinch-off, forming only a few satellite droplets. For oleophobic fibers, the droplets adopt a clamshell-shaped configuration in axial view, whose blow-off dynamics are resolved here for the first time at high temporal resolution.
液滴与纤维的相互作用是许多技术应用中的关键现象，特别是在聚结过滤中。虽然之前的研究已经解决了不同气体流动条件和纤维表面特性下的液滴分离问题，但在高时间分辨率下，特别是疏油纤维中，捕捉横流诱导分离的完整动力学的详细实验仍然有限。在这项研究中，我们研究了单个油滴在水平安装的疏油不锈钢纤维上的运动和分离，该纤维暴露在横向气流中，与过滤相关的速度低至1.3 m s-1，代表了纤维过滤介质中局部升高的速度。利用高达42 345 fps的高速成像，我们在毫秒时间尺度上解决了液滴的动力学问题，包括振荡、变形和颈缩。将体积等效球体半径在276µm - 749µm之间的标准压缩机油的单个液滴放置在直径为80µm的单个疏油纤维上。实验是在中等韦伯数（We≈3-5）和相对较高的奥内佐格数（Oh≈0.5-1）的粘惯性状态下进行的。结果显示，小液滴（rd=276µm）的高频振荡高达160 Hz，液滴脱离过程通过韧带伸长和夹断进行，仅形成少数卫星液滴。对于疏油纤维，液滴在轴向上呈贝壳状构型，首次在高时间分辨率下对其吹出动力学进行了解析。
{"title":"Droplet motion and detachment of individual oil droplets on a horizontally mounted oleophobic fiber under transverse gas flow","authors":"Alexander Schwarzwälder, Jörg Meyer, Achim Dittler","doi":"10.1016/j.seppur.2026.136767","DOIUrl":"10.1016/j.seppur.2026.136767","url":null,"abstract":"<div><div>The interaction of liquid droplets with fibers is a key phenomenon in many technical applications, especially in coalescence filtration. While previous studies have addressed droplet detachment under various gas flow conditions and fiber surface properties, detailed experiments capturing the full dynamics of crossflow-induced detachment at high temporal resolution, particularly for oleophobic fibers, remain limited. In this study, we investigate the motion and detachment of individual oil droplets on a horizontally mounted, oleophobic stainless steel fiber exposed to transverse air flow at filtration-relevant velocities as low as 1.3<!--> <!-->m<!--> <!-->s<sup>-1</sup>, representative of locally elevated velocities within fibrous filter media. Using high-speed imaging at up to 42<!--> <!-->345<!--> <!-->fps, we resolve the droplet dynamics, including oscillation, deformation, and necking on millisecond time scales. The individual droplets of a standard compressor oil with volume-equivalent sphere radii between 276<!--> <!-->µm–749<!--> <!-->µm were placed on a single oleophobic fiber with a diameter of 80<!--> <!-->µm.</div><div>The experiments are conducted in a viscous-inertial regime characterized by moderate Weber numbers (We <span><math><mo>≈</mo></math></span> 3–5) and relatively high Ohnesorge numbers (Oh <span><math><mo>≈</mo></math></span> 0.5–1). The results reveal high-frequency oscillations up to 160<!--> <!-->Hz for small droplets (<span><math><mrow><msub><mrow><mi>r</mi></mrow><mrow><mi>d</mi></mrow></msub><mo>=</mo><mn>276</mn><mspace></mspace><mstyle><mi>µ</mi><mi>m</mi></mstyle></mrow></math></span>) and show that droplet detachment proceeds via ligament elongation and pinch-off, forming only a few satellite droplets. For oleophobic fibers, the droplets adopt a clamshell-shaped configuration in axial view, whose blow-off dynamics are resolved here for the first time at high temporal resolution.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"389 ","pages":"Article 136767"},"PeriodicalIF":9.0,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145976362","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}
Pub Date : 2026-01-12DOI: 10.1016/j.seppur.2026.136882
Yuchen Zhao, Shuang Yang, Jinlong Li, Qian Yang, Qing Ye
Heterogeneous azeotropic distillation coupled with pressure swing distillation shows great potential in the treatment of heterogeneous azeotropes. However, there is no systematic study explored the impact of feed water content on the overall performance of the process. In this work, taking the feed composition of 0.2 THF/0.2 TOL/0.6 water as an example, two heterogeneous pressure-swing azeotropic distillation processes (DHPSAD and THPSAD) are proposed to separate THF/TOL/water ternary mixture. Compared with DHPSAD process, THPSAD process has 39.6%, 44.8% and 52.4% reduction in TAC, CO2 and exergy loss, respectively. Therefore, a detailed analysis of the THPSAD process is presented, considering water mole fractions in the feed stream ranging from 0.1 to 0.9. The results indicate that the THPSAD process holds a distinct economic advantage over the extractive distillation coupled pervaporation process investigated by Zhang et al. When the mole fraction of water in the feed composition is 0.7, the THPSAD process shows a significant reduction in both TAC and CO₂ emissions by 70.5% and 55.7%, respectively, compared to the coupling process proposed by Zhang et al.
{"title":"Sustainable design and multi-objective optimization of heterogeneous pressure-swing azeotropic distillation of separation of tetrahydrofuran /toluene/water with varying water content","authors":"Yuchen Zhao, Shuang Yang, Jinlong Li, Qian Yang, Qing Ye","doi":"10.1016/j.seppur.2026.136882","DOIUrl":"10.1016/j.seppur.2026.136882","url":null,"abstract":"<div><div>Heterogeneous azeotropic distillation coupled with pressure swing distillation shows great potential in the treatment of heterogeneous azeotropes. However, there is no systematic study explored the impact of feed water content on the overall performance of the process. In this work, taking the feed composition of 0.2 THF/0.2 TOL/0.6 water as an example, two heterogeneous pressure-swing azeotropic distillation processes (DHPSAD and THPSAD) are proposed to separate THF/TOL/water ternary mixture. Compared with DHPSAD process, THPSAD process has 39.6%, 44.8% and 52.4% reduction in TAC, CO<sub>2</sub> and exergy loss, respectively. Therefore, a detailed analysis of the THPSAD process is presented, considering water mole fractions in the feed stream ranging from 0.1 to 0.9. The results indicate that the THPSAD process holds a distinct economic advantage over the extractive distillation coupled pervaporation process investigated by Zhang et al. When the mole fraction of water in the feed composition is 0.7, the THPSAD process shows a significant reduction in both TAC and CO₂ emissions by 70.5% and 55.7%, respectively, compared to the coupling process proposed by Zhang et al.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"389 ","pages":"Article 136882"},"PeriodicalIF":9.0,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145976007","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}
N chemical bonds (CNF) was synthesized via a modulated MOF-derived method, utilizing core-shell MIL-88/g-C3N4 as the precursor. The g-C3N4 shell prevented the collapse of the rod-like structure and provided sufficient -NHx sites for coordination with Fe during the thermal conversion of MIL-88 to Fe2O3, resulting in the formation of CNF. The 2D/1D sheet-across-rod configuration of CNF reduced the charge transfer pathways from the interior to the interface, whereas the Fe
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