Journal of Membrane Science最新文献

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Construction of high conductivity poly(aryl ether ketone sulfone) proton exchange membrane by incorporating zwitterion-modified MOFs 两性离子修饰mof构建高导电性聚芳醚酮砜质子交换膜
IF 9 1区 工程技术
Journal of Membrane Science Pub Date : 2025-09-18 DOI: 10.1016/j.memsci.2025.124718
Yuzhe Guo , Qingyuan Shi , Jiaxin Li , Youwei Huang , Jingmei Xu
{"title":"Construction of high conductivity poly(aryl ether ketone sulfone) proton exchange membrane by incorporating zwitterion-modified MOFs","authors":"Yuzhe Guo ,&nbsp;Qingyuan Shi ,&nbsp;Jiaxin Li ,&nbsp;Youwei Huang ,&nbsp;Jingmei Xu","doi":"10.1016/j.memsci.2025.124718","DOIUrl":"10.1016/j.memsci.2025.124718","url":null,"abstract":"<div><div>In this paper, the zwitterion ADPS was modified on UiO-66-COOH by amidation reaction, and the functional UiO-66-ADPS that was produced was added to the matrix of sulfonated poly(aryl ether ketone sulfone) (SPAEKS), and the series of composite membranes of SPAEKS-UiO-66-ADPS (abbreviated as SPAEKS-U-A-X%) were successfully prepared. The UiO-66-ADPS and the series of composite membranes were characterized and evaluated. The composite membranes created exhibit excellent electrochemical performance, as well as superior water uptake and mechanical properties. Among them, at 90 °C, the proton conductivity of SPAEKS-U-A-0.75 % reached 268.31 mS cm<sup>−1</sup>, and the power density was 1553.10 mW/cm<sup>2</sup>, which was much higher than that of the SPAEKS membrane (302.65 mW/cm<sup>2</sup>). The results show that UiO-66-ADPS significantly improved the electrochemical performance of the PEMs.</div></div>","PeriodicalId":368,"journal":{"name":"Journal of Membrane Science","volume":"736 ","pages":"Article 124718"},"PeriodicalIF":9.0,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145109162","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
High-performance crystal-glass composite membrane incorporating porous organic cages and coordination polymer for efficient CO2/CH4 separation 高性能晶体玻璃复合膜,结合多孔有机笼和配位聚合物,用于高效的CO2/CH4分离
IF 9 1区 工程技术
Journal of Membrane Science Pub Date : 2025-09-17 DOI: 10.1016/j.memsci.2025.124717
Zhihao Song , Xinrui Liu , De Ao , Zhihua Qiao , Zhi Wang , Song Zhao
{"title":"High-performance crystal-glass composite membrane incorporating porous organic cages and coordination polymer for efficient CO2/CH4 separation","authors":"Zhihao Song ,&nbsp;Xinrui Liu ,&nbsp;De Ao ,&nbsp;Zhihua Qiao ,&nbsp;Zhi Wang ,&nbsp;Song Zhao","doi":"10.1016/j.memsci.2025.124717","DOIUrl":"10.1016/j.memsci.2025.124717","url":null,"abstract":"<div><div>Metal-organic framework glass shows great promise in gas separation applications, however, its inherent low porosity poses significant challenges to achieve the enhanced membrane permeability. In this work, we developed novel self-standing crystal-glass composite membrane via melt quenching process of porous organic cages and coordination polymer glasses. The resulting (CC3)<sub>n</sub>/(<em>a</em><sub><em>g</em></sub>Zn-P-dmbIm)<sub>1-n</sub> membranes effectively combines the high porosity of CC3 with the excellent film-forming property of Zn–P-dmbIm glass, enabling efficient CO<sub>2</sub>/CH<sub>4</sub> separation. Specifically, CO<sub>2</sub> molecules are preferentially adsorbed into the CC3 channels, followed by rapid permeation through the membrane, while the size exclusion restricts CH<sub>4</sub> molecules transport through the membranes. The obtained (CC3)<sub>0.05</sub>/(<em>a</em><sub><em>g</em></sub>Zn-P-dmbIm)<sub>0.95</sub> membrane achieves a high CO<sub>2</sub> permeability of 9358 Barrer, a CO<sub>2</sub>/CH<sub>4</sub> selectivity of 24.2, and demonstrates 24-h operational stability. This study not only broadens the application scope of coordination polymer glasses in gas separation membranes but also provides novel insights for the design of high-performance crystal-glass composite membranes.</div></div>","PeriodicalId":368,"journal":{"name":"Journal of Membrane Science","volume":"736 ","pages":"Article 124717"},"PeriodicalIF":9.0,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106158","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
Constructing piperazine-integrated covalent organic framework nanofiltration membranes with enhanced antifouling properties for efficient and selective molecular separation 构建具有增强防污性能的哌嗪集成共价有机框架纳滤膜,实现高效、选择性的分子分离
IF 9 1区 工程技术
Journal of Membrane Science Pub Date : 2025-09-17 DOI: 10.1016/j.memsci.2025.124695
Bingqin Su , Wei Zhang , Lingmeng Kong , Baiyang Ji , Sisi Chen , Wenhao Ouyang , Feiyun Sun , Dingyu Xing
{"title":"Constructing piperazine-integrated covalent organic framework nanofiltration membranes with enhanced antifouling properties for efficient and selective molecular separation","authors":"Bingqin Su ,&nbsp;Wei Zhang ,&nbsp;Lingmeng Kong ,&nbsp;Baiyang Ji ,&nbsp;Sisi Chen ,&nbsp;Wenhao Ouyang ,&nbsp;Feiyun Sun ,&nbsp;Dingyu Xing","doi":"10.1016/j.memsci.2025.124695","DOIUrl":"10.1016/j.memsci.2025.124695","url":null,"abstract":"<div><div>With the increasing demand for industrial wastewater treatment, nanofiltration (NF) membranes face technical bottlenecks in selectivity and permeance when separating dyes and inorganic salts. To address this challenge, high-performance NF membranes based on covalent organic framework (COF) were designed and successfully prepared in this study. The COF composite membrane (COF-CM) was constructed using interfacial polymerization method, and exhibited excellent separation performance. The membrane exhibited a pure water permeance of 100.6 L/(m<sup>2</sup> h bar) and a rejection efficiency of over 98.0% for congo red (CR), with a rejection efficiency for Na<sub>2</sub>SO<sub>4</sub> and NaCl of only 10.72% and 1.47%, respectively, indicating outstanding selectivity. Further modification of the membrane structure with piperazine yielded PIP-COF-CM, which maintained high dye rejection (CR &gt; 97%) and significantly enhanced antifouling performance, achieving a permeance recovery ratio exceeding 96.0%. The composite membrane demonstrated stable separation efficiency for dye/salt systems, exhibiting excellent performance over 72 h of continuous operation. This work offers an innovative membrane material solution for the efficient and sustainable treatment of industrial wastewater, particularly in challenging dye/salt separation systems.</div></div>","PeriodicalId":368,"journal":{"name":"Journal of Membrane Science","volume":"736 ","pages":"Article 124695"},"PeriodicalIF":9.0,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106159","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
Anion exchange membranes with hydrophobic chain modified dications for electrodialytic desalination 疏水链改性阴离子交换膜用于电渗析脱盐
IF 9 1区 工程技术
Journal of Membrane Science Pub Date : 2025-09-17 DOI: 10.1016/j.memsci.2025.124711
Ning Li , Min Yang , Shoutao Gong , Quan Jin , Gaohong He , Fengxiang Zhang
{"title":"Anion exchange membranes with hydrophobic chain modified dications for electrodialytic desalination","authors":"Ning Li ,&nbsp;Min Yang ,&nbsp;Shoutao Gong ,&nbsp;Quan Jin ,&nbsp;Gaohong He ,&nbsp;Fengxiang Zhang","doi":"10.1016/j.memsci.2025.124711","DOIUrl":"10.1016/j.memsci.2025.124711","url":null,"abstract":"<div><div>Anion exchange membranes (AEMs) directly determine the performance of electrodialytic desalination. In this paper, a series of quaternized polysulfone (PSf) AEMs with dications containing fuorinated side chains were synthesized by grafting PSf backbone with 1,4-diazabicyclo [2.2.2] octane bicationic liquids bearing 1-bromo-5-fluoropentane hydrophobic side chains. The fabricated QPSf-DFx membranes (x being the grafting ratio) were compared with QPSfs membranes of different polar side chains and those without side chains in terms of microphase separation structure and electrodialysis desalination performance. It is found that the QPSf-DF75 % membrane has a hydrophobic-hydrophilic-hydrophobic structure, which can enhance the microphase separation to the greatest extent; when applied to electrodialysis of 0.1 M NaCl solution, the QPSf-DF75 % membrane gave current efficiency, energy consumption and chloride ion permeability of 92.51 %, 3.05 kWh kg<sup>−1</sup> and 94.34 % respectively, outperforming its counterparts. This work demonstrates that the hydrophobic-hydrophilic-hydrophobic structure of grafted fluorinated side chains can promote microphase separation and thereby enhance the performance of AEMs in electrodialysis applications.</div></div>","PeriodicalId":368,"journal":{"name":"Journal of Membrane Science","volume":"738 ","pages":"Article 124711"},"PeriodicalIF":9.0,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145157567","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
Aromatic polyurea ion-solvating membranes for stabilized quasi-solid-state lithium metal batteries 准固态锂金属电池用芳香族聚脲离子溶剂化膜
IF 9 1区 工程技术
Journal of Membrane Science Pub Date : 2025-09-17 DOI: 10.1016/j.memsci.2025.124716
Hao Wang , Shuangyan Kang , Aiting Liu , Zixin Lv , Junhao Xin , Feng Wang , Qinghai Chen , Junfen Li , Hongying Tang , Nanwen Li
{"title":"Aromatic polyurea ion-solvating membranes for stabilized quasi-solid-state lithium metal batteries","authors":"Hao Wang ,&nbsp;Shuangyan Kang ,&nbsp;Aiting Liu ,&nbsp;Zixin Lv ,&nbsp;Junhao Xin ,&nbsp;Feng Wang ,&nbsp;Qinghai Chen ,&nbsp;Junfen Li ,&nbsp;Hongying Tang ,&nbsp;Nanwen Li","doi":"10.1016/j.memsci.2025.124716","DOIUrl":"10.1016/j.memsci.2025.124716","url":null,"abstract":"<div><div>In Solid lithium metal batteries (LMBs), polymer electrolytes have been extensively studied due to their intrinsic safety and high energy density. However, commonly used polymer matrix such as polyethylene oxide (PEO), polyacrylonitrile (PAN), and polyvinylidene fluoride (PVDF) cannot solve the problem of lithium dendrites and low ionic conductivity, resulting in short battery life and low-capacity retention. Here, a series of aromatic polyurea ion-solvating membranes (ISMs) with rigid and flexible structures is designed and prepared. With incorporation of LiTFSI, these ISMs exhibit high ionic conductivity (1.81 × 10<sup>−3</sup> S cm<sup>−1</sup>), good electrochemical stability (5.1 V vs Li<sup>+</sup>/Li), and excellent mechanical strength (39 MPa). The formed inorganic/organic solid electrolyte interphase (SEI) layer enriched with LiF, Li<sub>3</sub>N, and Li–N–C in the batteries leads to a uniform lithium deposition. As expected, the Li|Li symmetrical cells show a stable galvanostatic Li plating/stripping cycling performance with a low overpotential of 900 h at 0.1 mA cm<sup>−2</sup>. Most importantly, the LFP|ISM|Li coin cells still have a high capacity of 142.9 mAh g<sup>−1</sup> after 650 cycles at 0.5 C, with a capacity retention rate of 91 %.</div></div>","PeriodicalId":368,"journal":{"name":"Journal of Membrane Science","volume":"736 ","pages":"Article 124716"},"PeriodicalIF":9.0,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145118308","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
Torlon® polyamide-imide: A versatile precursor for carbon molecular sieve gas separation membranes Torlon®聚酰胺-亚胺:碳分子筛气体分离膜的多功能前驱体
IF 9 1区 工程技术
Journal of Membrane Science Pub Date : 2025-09-16 DOI: 10.1016/j.memsci.2025.124713
Ching-En Ku, Gaurav M. Iyer, Yutong Wu, Chen Zhang
{"title":"Torlon® polyamide-imide: A versatile precursor for carbon molecular sieve gas separation membranes","authors":"Ching-En Ku,&nbsp;Gaurav M. Iyer,&nbsp;Yutong Wu,&nbsp;Chen Zhang","doi":"10.1016/j.memsci.2025.124713","DOIUrl":"10.1016/j.memsci.2025.124713","url":null,"abstract":"<div><div>While carbon molecular sieve (CMS) membranes have shown highly competitive gas separation properties, different polymer precursors are required to fabricate CMS membranes for different separations. For example, precursors with low fractional free volume (e.g., polyamide and polybenzimidazole) are often needed to fabricate CMS membranes with attractive H<sub>2</sub>/CO<sub>2</sub> selectivity, whereas CMS membranes made from more open precursors (e.g., 6FDA-based polyimides) are more suitable to separate the larger CO<sub>2</sub>/CH<sub>4</sub> pair. It is highly desirable to identify a versatile precursor that can give CMS membranes attractive for a wider spectrum of gas separations by simple control of pyrolysis conditions. In this work, we show that high-temperature pyrolysis of Torlon® polyamide-imide gives new CMS membranes with ultra-high and stable H<sub>2</sub>/CO<sub>2</sub> selectivity under high-temperature mixture permeation. We also found Torlon is a versatile precursor that can give CMS membranes showing attractive CO<sub>2</sub>/CH<sub>4</sub> separation performance at low pyrolysis temperature. An investigation of CMS membrane pore structures suggested that Torlon's amide-imide copolymer backbone was responsible for its versatility as a CMS membrane precursor.</div></div>","PeriodicalId":368,"journal":{"name":"Journal of Membrane Science","volume":"736 ","pages":"Article 124713"},"PeriodicalIF":9.0,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106165","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
Simultaneously enhanced gas perm-selectivity of carbon molecular sieve membranes via silicon-based molecular cross-linking for efficient gas separation 同时通过硅基分子交联提高碳分子筛膜的气体选择性,实现高效的气体分离
IF 9 1区 工程技术
Journal of Membrane Science Pub Date : 2025-09-15 DOI: 10.1016/j.memsci.2025.124709
Huahui Liang , Mingwei Cai , Fuhui Liang , Shiyang Zhang , Yonggang Min
{"title":"Simultaneously enhanced gas perm-selectivity of carbon molecular sieve membranes via silicon-based molecular cross-linking for efficient gas separation","authors":"Huahui Liang ,&nbsp;Mingwei Cai ,&nbsp;Fuhui Liang ,&nbsp;Shiyang Zhang ,&nbsp;Yonggang Min","doi":"10.1016/j.memsci.2025.124709","DOIUrl":"10.1016/j.memsci.2025.124709","url":null,"abstract":"<div><div>Carbon molecular sieve membranes (CMSMs) face a fundamental permeability-selectivity trade-off, as defined by the Robeson upper bound. Here, we engineer CMSMs via copolymerization of hydroxy-functionalized polyimide (6FDA-6FAP) with polydimethylsiloxane (PDMS). Incorporating flexible siloxane chains promotes denser chain aggregation and provides additional gas transport channels. During pyrolysis, the decomposition of siloxane segments generates additional micropores, thereby enhancing gas permeability. Simultaneously, PDMS-induced silicon inter-layer crosslinking promotes tighter packing of carbon strands, which reduces inter-layer spacing and consequently improves gas selectivity. Systematic comparison of hydroxyl (-OH) and amine (-NH<sub>2</sub>) functional groups reveals that –OH groups in PDMS form extensive hydrogen-bonding networks with 6FAP, inducing crosslinking that enhances precursor chain packing. The optimized PCMS-OH membrane achieves H<sub>2</sub> and CO<sub>2</sub> permeability of 10,568 and 1,768 Barrer, with H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> selectivity of 320 and 53, respectively, which far exceed the latest Robeson upper bound. Moreover, silicon-induced crosslinking reduces aging kinetics, retaining 57 % higher H<sub>2</sub> permeability after 60 days. This work demonstrates a precursor engineering strategy to break the trade-off barrier for sustainable hydrogen purification and carbon dioxide capture.</div></div>","PeriodicalId":368,"journal":{"name":"Journal of Membrane Science","volume":"736 ","pages":"Article 124709"},"PeriodicalIF":9.0,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106217","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
Nanoscale investigation into the water uptake and multivalent ion suppression on pristine and APTES grafted ZSM-5 membranes 原生膜和APTES接枝ZSM-5膜的水吸收和多价离子抑制的纳米尺度研究
IF 9 1区 工程技术
Journal of Membrane Science Pub Date : 2025-09-15 DOI: 10.1016/j.memsci.2025.124707
Mengxiang Fang , Jiefu Jing , Tong Guo , Jiajia Feng , Hua Zang , Yongming Tu , Yuanhui Ji
{"title":"Nanoscale investigation into the water uptake and multivalent ion suppression on pristine and APTES grafted ZSM-5 membranes","authors":"Mengxiang Fang ,&nbsp;Jiefu Jing ,&nbsp;Tong Guo ,&nbsp;Jiajia Feng ,&nbsp;Hua Zang ,&nbsp;Yongming Tu ,&nbsp;Yuanhui Ji","doi":"10.1016/j.memsci.2025.124707","DOIUrl":"10.1016/j.memsci.2025.124707","url":null,"abstract":"<div><div>The remarkable properties of porous zeolites and their modified materials have found promising applications across various fields. This study leveraged molecular dynamics simulations to explore the wetting and permeation behaviors of salt solution droplets (i.e., NaCl, Na<sub>2</sub>CO<sub>3</sub>, and Na<sub>2</sub>SO<sub>4</sub>) on ZSM-5 and its 3-aminopropyltriethoxysilane functionalized (APTES-ZSM-5) surfaces. The larger ionic aggregates enhanced the internal cohesion of droplet, and slowed down the wetting process. However, the ionic effects were mitigated by surface modification. The increased hydrophobicity of the APTES-ZSM-5 surface effectively decelerated the wetting process and influenced the ensuing permeation dynamics. As the ions exhibited limited ability to permeate into the membrane, the frontier water molecules entering the zeolite membrane displayed similar permeation profiles. Nonetheless, the water adsorption capacity of the membrane decreased with increasing ionic aggregates. The ion rejection rate after surface modification has been strengthened at the expense of reduced water adsorption efficiency. This work elucidates the atomic-level interactions between salt solution droplets and zeolite membranes, highlighting the potential of functionalized zeolites to mitigate corrosion and shrinkage in cement-based materials.</div></div>","PeriodicalId":368,"journal":{"name":"Journal of Membrane Science","volume":"736 ","pages":"Article 124707"},"PeriodicalIF":9.0,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145109164","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
Molecular insight into crown ether graphene membranes for the separation of Co2+/Mg2+ in electrodialysis processes 电渗析过程中分离Co2+/Mg2+的冠醚石墨烯膜的分子洞察
IF 9 1区 工程技术
Journal of Membrane Science Pub Date : 2025-09-15 DOI: 10.1016/j.memsci.2025.124710
Yifan Zhao , Yang Xiao , Yunqiao Ma , Wenlai Xu , Min Zhong , Ju Yang , Bo Xing , Ziqiang Yin
{"title":"Molecular insight into crown ether graphene membranes for the separation of Co2+/Mg2+ in electrodialysis processes","authors":"Yifan Zhao ,&nbsp;Yang Xiao ,&nbsp;Yunqiao Ma ,&nbsp;Wenlai Xu ,&nbsp;Min Zhong ,&nbsp;Ju Yang ,&nbsp;Bo Xing ,&nbsp;Ziqiang Yin","doi":"10.1016/j.memsci.2025.124710","DOIUrl":"10.1016/j.memsci.2025.124710","url":null,"abstract":"<div><div>Functionalized crown ether modified graphene membranes have exhibited promising capability for the separation of ions. In this study, graphene membranes embedded with crown ether nanopores, namely 18-crown-6-ether (CE18) and 24-crown-8-ether (CE24) were compared for their separation efficiency of Co<sup>2+</sup>/Mg<sup>2+</sup> using molecular dynamics simulation. The separation performance of the CE18 membrane was superior to that of the CE24 membrane, which was attributed to the selective adsorption of membrane to the divalent ions, combined with the dehydration effect. The CE18 membrane had stronger adsorption to Co<sup>2+</sup> compared to Mg<sup>2+</sup>, leading to greater separation ratio. In contrast, the adsorption of the CE24 membrane with both divalent ions was an order of magnitude lower than CE18, and resulted in poor separation efficiency. Smaller pore size of CE18 membranes forced the divalent ions to strip more hydrated water molecules during the transmembrane process, while the dehydration energy of Co<sup>2+</sup> to lose each water molecule was lower than that of Mg<sup>2+</sup>. The combined effects of dehydration number and free energy improved the ion selectivity of the CE18 membrane, whereas the CE24 membrane was less preferable for the separation of Co<sup>2+</sup> and Mg<sup>2+</sup>. The adsorption between the CE groups and the divalent ions advanced the ion flux and selectivity of the CE18 membrane, but it was insufficient to compensate the energy needed for dehydration. This study elucidated the structure-energy-function relationship of crown ether membranes for the separation of Co<sup>2+</sup> and Mg<sup>2+</sup> on the molecular scale, and shed some light for the design of high-performance ion exchange membranes.</div></div>","PeriodicalId":368,"journal":{"name":"Journal of Membrane Science","volume":"736 ","pages":"Article 124710"},"PeriodicalIF":9.0,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106218","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
Membrane preparation assisted by integration of machine learning and response surface methodology for CO2 separation 基于机器学习和响应面方法的CO2分离膜制备
IF 9 1区 工程技术
Journal of Membrane Science Pub Date : 2025-09-15 DOI: 10.1016/j.memsci.2025.124708
Lucía Carrillo-Sánchez , Carlos Téllez , Joaquín Coronas
{"title":"Membrane preparation assisted by integration of machine learning and response surface methodology for CO2 separation","authors":"Lucía Carrillo-Sánchez ,&nbsp;Carlos Téllez ,&nbsp;Joaquín Coronas","doi":"10.1016/j.memsci.2025.124708","DOIUrl":"10.1016/j.memsci.2025.124708","url":null,"abstract":"<div><div>The separation of carbon dioxide (CO<sub>2</sub>) is presented as a current challenge in the environment and energy sector. The primary reason for this is to control the emissions of this gas into the atmosphere and the upgrading of biomethane. In this context, the membrane separation technology seems to be a very sustainable promising tool for such tasks. This work presents a machine learning (ML) study, based on a database created from membrane preparation conditions and gas separation records from the literature, achieved for the CO<sub>2</sub>/N<sub>2</sub> and CO<sub>2</sub>/CH<sub>4</sub> mixtures using dense membranes of thermoplastic elastomer Pebax® 1657. A comparative analysis of three different ML models was carried out: multiple linear regression, decision tree and random forest. This last algorithm demonstrates the best performance in statistics terms of coefficient of determination and root mean square error. In addition, the combination of the ML random forest with a method based on the design of experiments with response surface methodology (RSM) allowed to identify the favorable conditions for the membrane synthesis, with the objective of enhancing the CO<sub>2</sub> separation performance. This resulted in prepared membranes in the laboratory considering the proposed conditions by RSM with CO<sub>2</sub> permeability and CO<sub>2</sub>/X selectivity values of 115 Barrer and 43.5 and 132 Barrer and 16.4 for the CO<sub>2</sub>/N<sub>2</sub> and CO<sub>2</sub>/CH<sub>4</sub> mixtures, respectively, at 35 °C.</div></div>","PeriodicalId":368,"journal":{"name":"Journal of Membrane Science","volume":"736 ","pages":"Article 124708"},"PeriodicalIF":9.0,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106157","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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