Separation and Purification Technology最新文献

{"title":"Fabrication of PDMS/ceramic tubular membranes for organic solvent separation","authors":"Xue Wang, Chengye Zuo, Hui Zhong, Xiaobin Ding, Ze-Xian Low, Weihong Xing","doi":"10.1016/j.seppur.2025.133832","DOIUrl":"https://doi.org/10.1016/j.seppur.2025.133832","url":null,"abstract":"Polydimethylsiloxane (PDMS)/ceramic tubular pervaporation membranes hold significant promise for advancing industrial separation processes, owing to their robust mechanical stability, chemical resistance, and exceptional separation performance in challenging operating conditions. However, achieving uniform PDMS layers on ceramic supports with complex surface properties and intricate pore structures remains challenging. In this work, we systematically investigate the effects of support surface properties, interfacial tension between the pore-sealing solution and casting solution, and the intrinsic characteristics of PDMS on the microstructure and separation performance of PDMS composite membranes. Compared to Al₂O₃ supports, SiC supports exhibit higher hydrophilicity, effectively suppressing the infiltration of casting solution into the support pores. Decreasing the interfacial tension between the pore-sealing and casting solutions reduces the dynamic contact angle, resulting in thinner PDMS layers (19.6 μm to 5.7 μm). We observed that higher PDMS molecular weight decreases the crosslinking density and accelerates viscosity changes, compromising membrane formation stability. Benefiting from the high rigidity of the ceramic support, the separation factor of DMC/methanol remains stable at 2.1 as the operating temperature increases from 30 °C to 50 °C, while the total flux significantly increases to 12 kg · m⁻²·h⁻¹. The relationship between temperature and flux was fitted using the Arrhenius equation, yielding activation energies of 14.39 kJ·mol⁻¹ for DMC and 21.07 kJ·mol⁻¹ for methanol, respectively. Additionally, higher feed flow velocity and lower vacuum degrees contribute to enhanced DMC and methanol flux as well as improved separation selectivity. These findings demonstrate that the fabricated PDMS/ceramic composite membranes offer excellent separation performance and potential in applications in complex binary organic separation systems.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"11 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189030","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}

{"title":"Preparation of superhydrophilic/underwater superoleophobic PA56/BNNS-OH composite nanofiber membranes and their efficient separation of oil-in-water emulsions","authors":"Guangshun Dong,&nbsp;Zhuoqun Li,&nbsp;Jian Pan,&nbsp;Xinyu Chen,&nbsp;Xinyu Lou,&nbsp;Fulai Zhao,&nbsp;Yao Sun","doi":"10.1016/j.seppur.2025.133818","DOIUrl":"10.1016/j.seppur.2025.133818","url":null,"abstract":"<div><div>With the development of industrialization, the discharge of oily wastewater has been increasing significantly. In this study, a novel bio-based oil–water separation membrane was developed using bio-based Polyamide 56 (PA56) as the matrix material, which was modified by incorporating hydroxylated boron nitride nanosheets (BNNS-OH) through a blending approach. The PA56/BNNS-OH composite nanofiber membrane was fabricated via electrospinning. The impact of adding BNNS-OH on the morphological structure, selective permeability, and oil–water separation performance of the composite nanofiber membrane was explored. The results showed that, the introduction of BNNS-OH increased the surface roughness of the nanofiber membrane, forming a micro-nano nodular structure. This not only significantly enhanced the membrane’s hydrophilicity but also endowed it with outstanding underwater superoleophobicity. The M−3 membrane, prepared with 5 wt% BNNS-OH relative to PA56 content, exhibited superhydrophilic/underwater superoleophobic properties. It demonstrated efficient separation performance for various types of surfactant-stabilized emulsions (SSEs), with a separation efficiency of 99.84% for n-hexane-based SSE, approaching complete separation. Moreover, the membrane exhibited excellent cycling and thermal stability, chemical resistance, and self-cleaning properties under complex conditions. This study provides new insights and methods for developing novel bio-based and environmentally friendly oil–water separation membranes, which hold significant potential for application in oily wastewater treatment.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"375 ","pages":"Article 133818"},"PeriodicalIF":8.1,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189047","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}

{"title":"Air gap membrane distillation-crystallization process simulation for energy-efficient water recovery and lithium concentration from brines","authors":"Karla Pérez ,&nbsp;Constanza Bustamante ,&nbsp;Daniel Zamora ,&nbsp;Elizabeth Troncoso ,&nbsp;Simón Díaz-Quezada ,&nbsp;Humberto Estay","doi":"10.1016/j.seppur.2025.133823","DOIUrl":"10.1016/j.seppur.2025.133823","url":null,"abstract":"<div><div>The transition from conventional evaporation ponds to direct lithium extraction (DLE) processes in lithium production faces challenges in brine management and freshwater consumption. While the evaporative method loses approximately 125 m³ of water per ton of lithium carbonate equivalent, DLE requires high-quality fresh water with variable consumption rates. Additionally, several DLE processes require a pre-concentration stage to remove impurities and increase lithium concentration. This work explores simulating and optimizing a membrane distillation and crystallization (MDCr) process design as a solution for pre-concentrating multicomponent lithium brines and recovering freshwater. An optimization methodology based on a phenomenological model is proposed, incorporating NSGA-II and multi-criteria decision-making to design large-scale air gap membrane distillation modules. The performance is evaluated in a continuous plant with energy recovery and heat pump assistance, considering salt crystallization. Results showed that a module with a packing factor of 0.31, 3,595 porous fibers, 7,480 dense fibers, a length of 2.90 m, and an initial velocity of 0.85 m/s, combined with an average logarithmic temperature difference of 19.3 °C, achieved an optimal balance between water production and economic costs. This design resulted in a Capex of 78 US$/(m³/y) and an Opex of 4.3 US$/m³, with a specific electrical energy consumption of 71 kWh/m³, doubling lithium concentration and recovering 50 % of the water. These findings highlight the viability of MDCr technology as a competitive and sustainable option for brine pre-treatment, proving how mathematical modeling and optimization tools, grounded in validated phenomenology, can support the scaling-up of MDCr to large industrial applications.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"375 ","pages":"Article 133823"},"PeriodicalIF":8.1,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189059","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}

{"title":"Bionic solar driven interface evaporation aerogels inspired by mushroom surface textures with high salt collection and desalination capacity","authors":"Lixuan Yang,&nbsp;Ruisheng Wang,&nbsp;Jiajia Gui,&nbsp;Feiyue Zhou,&nbsp;Yuxuan Ma,&nbsp;Jingxing Gui,&nbsp;Dan Yu,&nbsp;Wei Wang","doi":"10.1016/j.seppur.2025.133826","DOIUrl":"10.1016/j.seppur.2025.133826","url":null,"abstract":"<div><div>Driven by its low cost, high sustainability, and simple construction, Solar-driven interfacial evaporation technology is coming to the fore as a hopeful solution and is garnering significant research interest. When dealing with salt solutions, as the solution on the interface continues to evaporate, the salt in the solution will accumulate at the evaporation interface, hindering the absorption of light and the release of vapor. In order to get good salt collection and desalination capacity on the surface, stripes structures are designed to regulate and collect salt crystallization. In this work, the bionic aerogel with mushroom surface stripes was created utilizing a 3D template approach with carboxylated multi-walled carbon nanotubes (MWCNTs-COOH), polyvinyl alcohol (PVA), and sodium alginate (SA). The stripes not only effectively expanded the evaporation area, thus improving the light absorption capacity, but also adjusted the salt crystallization performance. The fabricated bio-inspired aerogel combines excellent light absorption and mechanical strength, resulting in an excellent evaporation rate of 1.64 kg m⁻²h⁻¹ under diverse solar intensities. This performance is further underscored by its 84.18 % solar energy utilization rate under standard solar irradiation. We conducted desalination experiments using real seawater, and the salt collection rate reached 0.089 kg m⁻²h⁻¹. In a variety of wastewater purification experiments, the bionic gas gel has excellent purification effect. When processing saltwater, the salt crystallizes first on the surface stripes due to the Marangoni effect caused by the stripe structure, keeping the middle area of the photothermal layer clean. This is an ideal choice for treating various types of salt-containing wastewater and achieving desalination performance.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"375 ","pages":"Article 133826"},"PeriodicalIF":8.1,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144185214","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}

{"title":"How to intensify nucleation of ultra-wide metastable zone widths: Case study of 4,4′-Oxydianiline","authors":"Jiaqi Li,&nbsp;Xingyu Zhang,&nbsp;Xinmei Lv,&nbsp;Shijie Xu,&nbsp;Yanfei Wang","doi":"10.1016/j.seppur.2025.133828","DOIUrl":"10.1016/j.seppur.2025.133828","url":null,"abstract":"<div><div>Crystallization systems exhibiting ultra-wide metastable zone widths (MSZWs) due to pronounced solute–solvent hydrogen bonding interactions are characterized by impeded de-solvation and aggregation of solute molecules, resulting in nucleation inhibition. In our previous experiment, we found that the MSZW of 4,4′-Oxydianiline (ODA) in N, N-Dimethylacetamide (DMAC) can be as high as 40–50 K. Here, we demonstrate three strategies to shorten the MSZW of ODA in DMAC: elevating saturation temperature, ultrasound-assisted nucleation, and anti-solvent (H₂O)-regulated cooling crystallization. As expected, elevating saturation temperature can shorten the MSZW and there is a very large shortening under ultrasound-assisted, with a shortening of up to 90 %. More interestingly, anti-solvent (H₂O)-regulated achieved a remarkable 95 % reduction of MSZW despite lowering solubility. Molecular dynamics simulations revealed that H₂O introduction promotes solute aggregation by weakening the strong interactions between ODA and DMAC. Furthermore, building upon the validated universality of the Xu-S model, we achieved precise prediction of MSZWs by correlating key nucleation parameters (<em>γ</em>, <em>A</em>, <em>D</em>, <em>η</em>) with the nucleation temperature (<em>T</em>₁).<!--> <!-->To the best of our knowledge, this is the first study to regulate ultra-wide MSZWs via anti-solvent regulated strategy in cooling crystallization. This work will provide new insights into how to enhance nucleation and achieve efficient separation in the ultra-wide MSZWs.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"375 ","pages":"Article 133828"},"PeriodicalIF":8.1,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189049","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}

{"title":"Green and efficient removal of microplastics from water by ultrasound","authors":"Lvhan Zhu ,&nbsp;Dongsheng Shen ,&nbsp;Jiali Shentu ,&nbsp;Li Lu ,&nbsp;Shengqi Qi ,&nbsp;Min Zhu ,&nbsp;Lifang Hu ,&nbsp;Yuyang Long","doi":"10.1016/j.seppur.2025.133800","DOIUrl":"10.1016/j.seppur.2025.133800","url":null,"abstract":"<div><div>Ultrasound has the advantages of being environmentally friendly and enhancing the collision and aggregation of suspended particles, while the potential for microplastics (MPs) treatment in aqueous environments is yet to be explored. This study investigated the role of ultrasound in promoting the aggregation of MPs in aqueous environments to achieve their removal, and found that ultrasonic power, temperature, and time are key factors influencing MPs aggregation. Optimization achieved maximum aggregation rates of 64.8 % for PVC and 53.5 % for PE, and the optimal conditions for aggregation were ultrasound power of 230 W, 22 °C, ultrasound for 7 min, and ultrasound power of 153 W, 22 °C, ultrasound for 4 min, respectively. Fourier transform infrared spectroscopy and atomic force microscopy analyses of the properties of MPs before and after aggregation revealed that ultrasonic input reduced the surface roughness of MPs from 676.6 nm to 499.7 and 107.1 nm, respectively, accompanied by a reduction in electric potential by 3.3–4.4 V, which was identified as the primary cause of aggregation. Theoretical calculations indicated that the binding energies of PVC and PE were −12.82 and −7.75 kJ·mol⁻¹, respectively, further confirming that electrostatic force play a dominant role in MPs interactions. Moreover, the differences in aggregation effects depended on variations in the physicochemical properties of different types of MPs. COMSOL simulations further validated the possible process of MPs aggregation induced by ultrasound in aqueous environments. This study offers new insights into the removal of MPs in aqueous environments and is expected to develop a green and efficient treatment technology.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"375 ","pages":"Article 133800"},"PeriodicalIF":8.1,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189048","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}

{"title":"Ion crosslinked o-Cresolphthalein based polyimide for gas separation","authors":"Zhongzheng Ren, Guoke Zhao, Gongqing Tang, Yiqun Liu, Pei Li","doi":"10.1016/j.seppur.2025.133831","DOIUrl":"https://doi.org/10.1016/j.seppur.2025.133831","url":null,"abstract":"In this work, a diamine (2-(bis(3-amino-4-hydroxy-5-methylphenyl)methyl)benzoic acid, OBP) was synthesized using o-cresolphthalein and copolymerized with 4,4′-(hexafluoroisopropyl) phthalic anhydride (6FDA) and paraphenylenediamine (PPDA) to yield a 6FDA‐OBP/PPDA (1:3) (6FOP) copolyimide. The copolyimide was crosslinked by Ca²⁺ or Fe³⁺. The influence of the coordination effect of ion crosslinking on gas permeation properties, aging resistance, and mechanical properties were investigated. Experimental results indicated that a moderate degree of ion crosslinking enhanced both the mechanical properties and gas permeation performance. Notably, the CO₂ and O₂ permeabilities of a 6FOP membrane increased by 300 % and 380 %, respectively, after being crosslinked in a 10 wt% Ca²⁺ methanol solution. Moreover, ion crosslinking limited physical aging. CO₂ permeabilities of 6FOP membranes crosslinked by 1 wt% Fe³⁺ methanol solutions decreased by 5 % after 90 days of aging, while that of a 6FOP membrane soaked in methanol decreased by 45 %. The CO₂ induced plasticization pressure was also increased from 20 to 25 atm after ion crosslinking.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"37 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189070","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}

{"title":"Nickel and cobalt separation via speciation using deep eutectic solvent-based ion exchange","authors":"Stuart Aberdeen ,&nbsp;Richard I. Foster ,&nbsp;Sungyeol Choi","doi":"10.1016/j.seppur.2025.133833","DOIUrl":"10.1016/j.seppur.2025.133833","url":null,"abstract":"<div><div>Nuclear waste poses a significant challenge due to radioactive isotopes (RIs) and heavy metal contamination, where the heavy metals are usually in the form of corrosion products. Decontamination of various metal surfaces during decommissioning is a major concern and therefore developing a cost-effective, and efficient separation tools is essential for reducing waste volume and producing environmentally friendly waste forms. Non-environmentally friendly chemical reagents used for decontamination further exacerbate the problem by generating secondary wastes leading to rapidly filling interim storage facilities. In this work, we have developed an efficient and green technology for the decontamination of metal surfaces and metal containing effluents through the recovery of RIs and heavy metals. Using choline chloride: p-toluenesulfonic acid (ChCl:pTSA) and choline chloride: ethylene glycol (ChCl:EG) deep eutectic solvents (DES) at room temperature, we successfully dissolved metal oxides, achieving complete dissolution of both NiO and CoO in pure DES. As hydration increased, the dissolution efficiency dropped, for example, in ChCl:pTSA with 20 % and 40 % water, CoO dissolution decreased to 99 % and 87 %, and NiO dissolution decreased to 87 % and 38 %, respectively. Similar trends were observed for ChCl:EG. The addition of ion exchange (IX) media, using Purolite™ resins NRW150, NRW160, PFA445 and A555, to hydrated ChCl:pTSA and ChCl:EG DES, allowed for effective separation and recovery of the metal contaminants. The selected anion exchange resins achieved high removal efficiencies in pure DES (&gt;80 %), while cation exchange resins were more effective in fully hydrated systems (&gt;90 %) for single-ion experiments. Similar trends were observed with multi-ion experiments. The speciation of Ni and Co was significantly influenced by the hydration environment. As hydration levels increased, a transition from chloride-coordinated species ([NiCl₄]²⁻ and [CoCl₄]²⁻) to hydrated forms ([(Ni(H₂O)₆]²⁺ and [Co(H₂O)₆]²⁺) occurred, facilitating more selective separation strategies using IX resins. Understanding the interactions between DESs, metal ions, and IX media will ultimately enable the design of DES-IX systems for broader environmental and waste remediation applications, advancing the circular economy within nuclear and industrial waste management sectors.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"375 ","pages":"Article 133833"},"PeriodicalIF":8.1,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189060","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}

{"title":"The role of typical inorganic anions on the transformation of dissolved organic matters in catalytic ozonation","authors":"Min Li ,&nbsp;Zhouyang Li ,&nbsp;Liya Fu ,&nbsp;Zhikai Qin ,&nbsp;Changyong Wu","doi":"10.1016/j.seppur.2025.133808","DOIUrl":"10.1016/j.seppur.2025.133808","url":null,"abstract":"<div><div>Heterogeneous catalytic ozonation (HCO) is an effective technology for the advanced treatment of various industrial wastewater. The effect of different anions on dissolved organic matter (DOM) reactivity during the HCO process might vary considerably. However, the impact of this DOM conversion process induced by inorganic anions remains unclear. Herein, the effect of HCO₃⁻ and SO₄²⁻ on DOM molecular changes in petrochemical wastewater by HCO was systematically investigated using spectroscopy, resin fraction, and FT–ICR MS techniques. HCO₃⁻ showed stronger inhibition of organics on degradation than SO₄²⁻, primarily due to the scavenging of reactive oxygen species. Moreover, HCO₃⁻ and SO₄²⁻ favored the inhibition of hydrophobic fractions over hydrophilic fractions. At the molecular level, the similar effect of HCO₃⁻ and SO₄²⁻ on HCO favored the conversion of compounds with lignins/CRAM-like to aliphatic/proteins and aromatic structures. The higher reactivity of HCO + HCO₃⁻ with low-unsaturated and high-oxidized compounds resulted in reduced oxygen addition reactions. HCO + SO₄²⁻ promoted oxygen addition reactions due to facilitating the transformation of unsaturated DOM into more saturated aldehydes, ketones, and carboxylic acids. These findings highlight significant differences in HCO₃⁻ and SO₄²⁻ effects on DOM transformation during HCO. Our study provides molecular-level insights into the behavioral changes of DOM during HCO induced by inorganic anions, helping guide the optimization of HCO processes for treating actual industrial wastewater.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"375 ","pages":"Article 133808"},"PeriodicalIF":8.1,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144170024","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}

{"title":"Rational design of hydrophobic MOFs for membrane-based C2H6-selective separation under high humidity condition","authors":"Zhengqing Zhang ,&nbsp;Rongmei Han ,&nbsp;Qi Han ,&nbsp;Mengdi Zhao ,&nbsp;Min Wang ,&nbsp;Yuxiu Sun ,&nbsp;Zhihua Qiao","doi":"10.1016/j.seppur.2025.133824","DOIUrl":"10.1016/j.seppur.2025.133824","url":null,"abstract":"<div><div>The development of ethane-selective permeation materials is essential for energy-efficient C₂H₆/C₂H₄ separation. However, designing high-performance C₂H₆-selective MOFs remains highly challenging, particularly when used under humid conditions. In this work, hydrophobic MOFs were initially identified using the Widom insertion method. Their features and separation properties calculated through molecular simulations were subsequently utilized as inputs for the development of machine learning (ML) models to identify the key factors that influence the performance of membrane-based C₂H₆/C₂H₄ separation. Based on ML insights, 11,973 hypothetical MOFs (hMOFs) were constructed, and 1229 hydrophobic hMOFs were further identified through a preliminary screening. The four high-performing hMOF membranes were further identified through precision screening, and hMOF-1 demonstrates effective C₂H₆/C₂H₄ separation under high humidity conditions, with performance comparable to that observed under dry conditions. Additionally, the gas separation mechanisms for high-performing hMOFs were also elucidated under both dry and humidity conditions. Consequently, the ML-guided design of hydrophobic MOF membranes demonstrates significant potential for membrane-based C₂H₆-selective separation, especially when considering the impact of humidity conditions on practical C₂H₆/C₂H₄ separation applications.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"375 ","pages":"Article 133824"},"PeriodicalIF":8.1,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144176827","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}