Separation and Purification Technology最新文献

{"title":"The operating parameters optimization of LEP-N-MBR system for urban domestic wastewater treatment: Nitrogen and carbon removal, membrane fouling characteristics and microbial community","authors":"Guiquan Du ,&nbsp;Kai Tang ,&nbsp;Canhui Song ,&nbsp;Jingqiu Sun ,&nbsp;Faqian Sun ,&nbsp;Chongjun Chen","doi":"10.1016/j.seppur.2025.132290","DOIUrl":"10.1016/j.seppur.2025.132290","url":null,"abstract":"<div><div>The traditional membrane bioreactor (MBR) process often adopts high-energy aerobic aeration flushing to alleviate membrane fouling. And how to achieve low-carbon and low-energy operation of MBR process is the key to achieve large-scale application. The LEP-N-MBR (Low energy 100 %-PTFE no-aeration/aeration membrane bioreactor) system is constructed by vibrating membrane bioreactor (VMBR) and aeration membrane bioreactor (AMBR). The operating parameters contained with different C/N (COD, Chemical Oxygen Demand/TN, Total Nitrogen), HRT (Hydraulic Retention Time) and MLSS (Mixed Liquor Suspended Solids) were selected. When the C/N was 10, HRT was 3 h, and MLSS was 3000 mg/L, both AMBR and VMBR systems demonstrated optimal operating efficacy. However, the VMBR system operates better than AMBR. The PN/PS (Protein/Polysaccharide) of sludge extracellular polymeric substances (EPS) in the VMBR and AMBR stabilized at 2.00–3.50 with increasing C/N. However, due to high load of organic matter concentration, the PN/PS was dramatically increased to 12 at HRT = 2h. The amount of SMP (soluble microbial products) and EPS extracted on VMBR membranes was always less than AMBR. Compared to AMBR, VMBR showed stronger regional collaboration among core genera. The microbial network co-occurrence map showed a short average path length and a high clustering coefficient.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"363 ","pages":"Article 132290"},"PeriodicalIF":8.1,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520139","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":"Efficient separation of long-chain alpha-olefins via NaX zeolite in simulated moving bed adsorption process","authors":"Fangyu Zhao ,&nbsp;Junxiang Ma ,&nbsp;Ruihan Yang ,&nbsp;Liangcheng Guo ,&nbsp;Zhao Li ,&nbsp;Shafqat Ullah ,&nbsp;Yuan Gao ,&nbsp;Qiangqiang Xue ,&nbsp;Sibudjing Kawi ,&nbsp;Yujun Wang ,&nbsp;Guangsheng Luo","doi":"10.1016/j.seppur.2025.132298","DOIUrl":"10.1016/j.seppur.2025.132298","url":null,"abstract":"<div><div>Long-chain α-olefins are key intermediates in organic synthesis, commonly comprising 40 % to 80 % of the products derived from processes including dehydration of long-chain alcohols, CO₂ hydrogenation, and Fischer–Tropsch synthesis. The separation of α-olefins from alkanes and <em>endo</em>-olefins, with boiling points and molecular structural properties, is a challenging task that requires low energy consumption. Adsorption separation offers a promising alternative to the traditional, energy-intensive distillation process. In this study, a simulated moving bed (SMB) system equipped with a configurable multi-way solenoid valve setup was developed for the separation of C₈, C₁₀, and C₁₂ α-olefins from paraffins. NaX zeolites were used as adsorbents, and cyclohexane served as the desorption agent. Initial SMB parameters were determined rationally and efficiently through micro packed-bed chromatography pulse experiments and the application of a safety factor method. At a temperature of 60 °C and a pressure of 0.9 MPa, the purity of C8, C10, and C12 α-olefins was refined to 99.5 %, 99.2 %, and 97.3 %, respectively, on a simulated moving bed chromatography system with optimized parameters. A novel single-column simulation approach was established to determine valve switching times, zone configurations, and flow rates for complicated systems. This approach has the potential to be integrated with genetic algorithms for rapid screening and optimization of SMB configurations in the future. The SMB system was operated continuously for 72 h, during which the purity of the α-olefin in the extracted liquid remained stable. The design and optimization of SMB parameters provide an important foundation for the industrial application of adsorption separation processes for long-chain α-olefins and paraffins.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"363 ","pages":"Article 132298"},"PeriodicalIF":8.1,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495658","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":"In-situ polymerization of Polyp-phenylenediamine in graphene oxide membrane for antibiotic desalination","authors":"Wen-Hai Zhang ,&nbsp;Dongli Wang ,&nbsp;Yun-Han Ren ,&nbsp;Yan Pan ,&nbsp;Haiqi Gao ,&nbsp;Hong Meng","doi":"10.1016/j.seppur.2025.132293","DOIUrl":"10.1016/j.seppur.2025.132293","url":null,"abstract":"<div><div>The efficient desalination of antibiotics can be achieved by reasonably designing and enlarging the interlayer channels of graphene oxide (GO) membranes. A promising approach to increase the size of these interlayer channels involves the incorporation of nanoparticles. However, challenges such as particle agglomeration and the formation of interfacial defects during the membrane fabrication process often hinder the efficiency of antibiotic rejection. To address these issues, this study developed a novel PPD (Polyp-phenylenediamine) /GO nano-hybrid nanofiltration membrane via in-situ polymerization. This method ensures the uniform distribution of nanoparticles within the interlayer channels while simultaneously enhancing membrane stability through covalent bonding between the nanoparticles and GO. As a result of the expanded mass transfer channels, the optimized PPD@GO membrane exhibits a flux that is 3.4-fold higher than that of the pure GO membrane, maintaining a high antibiotic rejection rate and excellent sodium chloride permeability. These findings demonstrate the superior performance of the PPD@GO membrane for antibiotic desalination applications.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"363 ","pages":"Article 132293"},"PeriodicalIF":8.1,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495659","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":"Enhanced photocatalytic NO removal over defective Bi-modified Bi2MoO6 nanosheets: The inhibition of toxic NO2 intermediate via high oxygen concentration","authors":"Yu Wang ,&nbsp;Junjun Wang ,&nbsp;Qiuhui Zhu ,&nbsp;Atif Sial ,&nbsp;Ting Gao ,&nbsp;Ke Zhao ,&nbsp;Yanqing Liao ,&nbsp;Hong Kang ,&nbsp;Chuanyi Wang","doi":"10.1016/j.seppur.2025.132131","DOIUrl":"10.1016/j.seppur.2025.132131","url":null,"abstract":"<div><div>Oxygen (O₂) has been known as one of the important roles in the photocatalytic NO removal and the concentration of O₂ varies in different industrial exhaust gases that contain excessive NO_x. In this work, the Bi-modified Bi₂MoO₆ with oxygen vacancies (OVs) has been prepared by two-step method. The optimal photocatalyst exhibits a photocatalytic efficiency of 61 %, which is 1.8 times higher than that of pure Bi₂MoO₆ (34 %), for NO removal under visible light and the corresponding NO₂ yield decreases from 27 % to 4 %. The improved photocatalytic performance is contributed to the synergistic effect of Bi and OVs. Furthermore, the influence of O₂ concentration on the efficiency of photocatalytic NO removal have been explored. The optimized sample exhibits photocatalytic efficiency as high as 81 % in a 100 % oxygen atmosphere, with efficiency ranging from 56 % to 81 % and accompanied by a decrease in the corresponding NO₂ yield as the concentration of O₂ increases from 0 % to 100 %. Based on the results of EPR, the increase in O₂ concentration accelerates the generation of •O₂⁻, thus improving the photocatalytic performance for NO removal. The in-situ DRIFTS results indicated the absence of monodentate NO₃⁻ in the Bi/BMO-V_O-4 products, providing an explanation for the observed low yield of NO₂. This work presents a novel strategy for enhancing the photocatalytic performance of NO removal under a wide range of O₂ concentration.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"363 ","pages":"Article 132131"},"PeriodicalIF":8.1,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495655","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":"Simultaneously photocatalytic H2O2 production and tetracycline degradation by A MOF-Derived CdS/Bi2O2CO3 heterostructure","authors":"Lu Zhang ,&nbsp;Haotian Wang ,&nbsp;Ju Peng ,&nbsp;Qijie Yi ,&nbsp;Dan Zhang ,&nbsp;Li Lv ,&nbsp;Jianhao Qiu ,&nbsp;Wenxiang Tang","doi":"10.1016/j.seppur.2025.132284","DOIUrl":"10.1016/j.seppur.2025.132284","url":null,"abstract":"<div><div>An effective and environmentally friendly way to treat wastewater powered by solar energy is to combine photocatalytic purification technology with in-situ H₂O₂ generation. This work developed a type II CdS/Bi₂O₂CO₃ heterojunction photocatalyst through a MOF-based pyrolysis strategy, which was further applied for simultaneous photodegradation of tetracycline and photocatalytic production of H₂O₂. The heterojunction generated by decorating CdS nanoparticles on Bi₂O₂CO₃ surface is characterized by close contact which results in efficient charge separation. It has been discovered that the CdS/Bi₂O₂CO₃ heterojunction may photocatalytically produce H₂O₂ by a two-step O₂ reduction reaction in ambient air and pure water when exposed to visible light, with a yield of 745.2 μmol⸱L⁻¹. In comparison to pure CdS, where the yield was only 95.7 μmol⸱L⁻¹, this is a substantial improvement, further demonstrating the great improvement of this unique heterojunction. Additionally, 98 % of the tetracycline could be degraded in 2 h, and the CdS/Bi₂O₂CO₃ heterojunction’s H₂O₂ production in a tetracycline solution reached 1889.4 μmol⸱L⁻¹. This study shows how metal–organic framework-derived materials may be used for photocatalysis and offers information on how water purification technology can be combined with environmentally friendly H₂O₂ production.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"364 ","pages":"Article 132284"},"PeriodicalIF":8.1,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495722","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":"Competitive extraction behaviors of vanadium and chromium in the sodium roasting — Water leaching process","authors":"Junyi Xiang ,&nbsp;Xi Lu ,&nbsp;Hongru Rao ,&nbsp;Luwei Bai ,&nbsp;Qingyun Huang ,&nbsp;Xuewei Lv","doi":"10.1016/j.seppur.2025.132296","DOIUrl":"10.1016/j.seppur.2025.132296","url":null,"abstract":"<div><div>The separation of vanadium and chromium from vanadium-chromium slag constitutes the greatest bottleneck in the exploitation and utilization of high-chromium vanadium-titanium magnetite, which mainly results from the insufficient understanding of the behavior of similar elements vanadium and chromium during the extraction process. In this research, a series of spinels FeV<em>_x</em>Cr_2-<em>_x</em>O₄ (0 ≤ <em>x</em> ≤ 2) were synthesized via the high-temperature solid-state method, and their sodium roasting and leaching behavior were comprehensively analyzed. The transformation rules of sodium vanadate and chromate were investigated by XRD, SEM-EDS, FTIR, and thermodynamic calculation. The results indicate that in the FeV<em>_x</em>Cr_2-<em>_x</em>O₄ (0 ≤ <em>x</em> ≤ 2) − Na₂CO₃ system, at 300°C, a portion of chromium spinel phase is preferentially and slowly oxidized to Cr₂O₃, while the vanadium spinel rapidly oxidizes to form NaVO₃ at 400°C. Above 500°C, NaVO₃ further reacts with Na₂CO₃ to form Na₄V₂O₇, and Na₂CrO₄ also begins to form concurrently. As the proportion of Cr in FeV<em>_x</em>Cr_2-<em>_x</em>O₄ increases, both the leaching efficiencies of vanadium and chromium from the sodium-roasted samples decrease, with the leaching efficiency of chromium decreasing more significantly. Significant competitive and synergistic effects between vanadium and chromium are observed in the roasting of FeV<em>_x</em>Cr_2-<em>_x</em>O₄ with Na₂CO₃. This study is expected to provide theoretical support for the development of efficient vanadium-chromium extraction processes.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"363 ","pages":"Article 132296"},"PeriodicalIF":8.1,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495657","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":"Hetero-structured high entropy oxides for efficient organic pollutant degradation via peroxymonosulfate activation","authors":"Haixian Yan ,&nbsp;Shiqi Wang ,&nbsp;Bangli Xu ,&nbsp;Shiya Weng ,&nbsp;Wenyi Huo ,&nbsp;Zonghan Xie ,&nbsp;Jian Ku Shang ,&nbsp;Jianqing Jiang ,&nbsp;Feng Fang","doi":"10.1016/j.seppur.2025.132233","DOIUrl":"10.1016/j.seppur.2025.132233","url":null,"abstract":"<div><div>Transition metal oxides have attracted widespread attention for their ability to remove organic pollutants from wastewater through peroxymonosulfate (PMS) activation. However, the limited catalytic active sites and low intrinsic catalytic activity hinder its further application. Herein, hetero-structured high entropy oxides (Fe, Co, Ni, Cu)₃O₄/CuO are constructed via an <em>in-situ</em> strategy employing Prussian blue analogs (PBAs) as precursors. The prepared catalyst exhibits outstanding performance and flexible applicability as a PMS catalyst, achieving high degradation rates for various organic pollutants within 5 min, including rhodamine B (94.0 %), methyl orange (90.9 %), malachite green (100.0 %), methyl red (90.3 %), tetracycline (100.0 %) and doxorubicin hydrochloride (100.0 %). The results of active species identification and density functional theory (DFT) calculations revealed that the unique structure of the (Fe, Co, Ni, Cu)₃O₄/CuO optimized the d-band centers of the metallic active sites and the absorption energy of PMS. This accelerates the production of SO₄^•- and •OH, and ¹O₂ in the system, effectively attacking and degrading pollutants. This work provides a low-cost, easy-to-construct, and universal strategy for designing hetero-structured high entropy oxides, which have broad potential for wastewater treatment and other catalytic applications.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"363 ","pages":"Article 132233"},"PeriodicalIF":8.1,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495653","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":"Highly efficient adsorption of Pb (II) by Cucurbit[7]uril-modified amino-expanded graphite: Experiments, synthetic modelling optimisation and DFT calculations","authors":"Yujie Hu ,&nbsp;Zhengfeng Xie ,&nbsp;Changjun Zou ,&nbsp;Wenyue Tang","doi":"10.1016/j.seppur.2025.132177","DOIUrl":"10.1016/j.seppur.2025.132177","url":null,"abstract":"<div><div>Conventional Pb(II) adsorbents suffer from a slow adsorption process, low adsorption capacity, and low removal rates in low concentration. To address these limitations, in this study, Cucurbit[7]uril (CB[7]) modified amino expanded graphite (EG) adsorbent (CB-EG) was prepared by hydrothermal method, and the synthesis was optimized using the response surface methodology. Meanwhile, DFT calculations were performed for mechanism analysis, and the best removal rate of lead ion (Pb(II)) at the optimum ratio was 99.02 %. The DFT-calculated adsorption energy of CB-EG was −739 kJ/mol, which was much higher than that of EG. By complexing CB [7] ports, the ability of CB-EG to capture Pb(II) under actual aqueous environment and low concentration of Pb(II) was increased by 4.25-fold compared to that of EG. The adsorption experiments showed that the adsorption process was spontaneously exothermic, and the adsorption process could be well fitted to the quasi-secondary kinetic model and Langmuir models. The effects of different pH, adsorbent dosage, metal ion concentration and temperature on the adsorption process were investigated. The adsorption reached equilibrium within 60 min, and the maximum Pb(II) adsorption capacity was 268.6 mg/g under the optimum environment (pH = 7, T = 323 K, adsorbent dosage = 0.05 g), which is superior to that of similar adsorbents. In addition, CB-EG has excellent recycling performance, with an adsorption capacity of 85 % of the initial capacity after seven recycling experiments. CB-EG maintained excellent adsorption performance (R%&gt;90 %) in low-concentration and real aqueous environments. The introduction of CB[7] enabled EG to have more adsorption sites and superior Pb(II) adsorption capacity, which improved the disadvantage of EG’s low adsorption capacity in real aqueous environments and low concentration, making it a promising Pb(II) adsorbent.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"363 ","pages":"Article 132177"},"PeriodicalIF":8.1,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495654","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":"Scalable upgrading metal–organic frameworks through ambient and controllable electron-beam irradiation for CO2 capture and conversion","authors":"Chong Chen ,&nbsp;Yukun Zhang ,&nbsp;Changjiang Hu ,&nbsp;Zhiwen Jiang ,&nbsp;Jun Ma","doi":"10.1016/j.seppur.2025.132270","DOIUrl":"10.1016/j.seppur.2025.132270","url":null,"abstract":"<div><div>Some well-established metal–organic frameworks (MOFs) have shown their commercialization for CO₂ capture and conversion. However, the development of effective and scalable modification technologies that are broadly applicable to existing MOFs still face significant challenges. Here, in contrast to sophisticated synthesis, we report a general and facile upgrading strategy for kilogram-level MOFs including IRMOF, MIL, and ZIF through ambient, controllable and cost-effective electron-beam (e-beam) irradiation. Specially, the modified HKUST-1 achieves a 16.6% improvement in CO₂ uptake with high selectivities for CO₂/N₂ mixtures, and a 2-fold production rate of CO under visible-light illumination. As demonstrated by newly-developed in-situ X-ray diffraction infrared Fourier transform (DRIFT) technology and theoretical calculations, e-beam induces the metal node reduction, ligand functionalization, and pore architecture manipulation via radiolysis of trapped water molecules, synergistically promoting the CO₂ polarization and activation. Our study reveals the advantageous of e-beam irradiation effects for MOFs, which are often considered negative in many areas.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"363 ","pages":"Article 132270"},"PeriodicalIF":8.1,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143485806","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":"Bromine functionalized zirconium–fumarate frameworks for enhanced xenon capture and separation","authors":"Siqi Dong,&nbsp;Boyu Liu,&nbsp;Kai Lv,&nbsp;Shuanglin Hu,&nbsp;Zirui Liu,&nbsp;Zhenghao Mao,&nbsp;Shunshun Xiong","doi":"10.1016/j.seppur.2025.132282","DOIUrl":"10.1016/j.seppur.2025.132282","url":null,"abstract":"<div><div>Design and synthesis of porous solids materials for efficient separation and capture of inert gas Xe and Kr from the nuclear off-gas steam remain urgent and challenging issues. Herein, a new bromine functionalized Zr-based metal organic framework (MIP-203-F-Br) was successfully prepared using a facile synthetic method to effectively separate and capture Xe and Kr. The immobilization of bromine atoms into framework of MIP-203-F-Br creates a highly polarized pore environment in its 1D-channel with optimized pore size (4.6 Å), that maximizes confinement effects for Xe absorption. MIP-203-F-Br exhibits significantly high Xe adsorption affinity at low pressure with a high Xe uptake capacity (39.4 cm³·cm⁻³) at 10 kPa and 298 K and a record-breaking Henry-coefficient (27.2 mmol·g⁻¹·bar⁻¹) among the reported Zr-based MOFs. Through the breakthrough experiments carried out in dilute conditions (simulation of nuclear off-gases), the practical separation performance of MIP-203-F-Br was confirmed. Grand Canonical Monte Carlo (GCMC) simulations and Density Functional Theory (DFT) calculations were performed to elucidate the adsorption mechanism in MIP-203-F-Br, highlighting the significant role played by Br atoms in enhancing Xe adsorption. This work also provides a novel facile synthetic method to achieve bromine functionalized MOFs for potential various applications.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"363 ","pages":"Article 132282"},"PeriodicalIF":8.1,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143485801","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}