Separation and Purification Technology最新文献

{"title":"A systematic entrainer screening and mechanism analysis method based on DFT for methanol/methyl propionate azeotrope separation","authors":"Xinying Li ,&nbsp;Yangyang Jiang ,&nbsp;Yueyang Cheng ,&nbsp;Shiqi Qu ,&nbsp;Hongzhi Xia ,&nbsp;Jingxi Cao ,&nbsp;Zewen Shang ,&nbsp;Xuhan Liu ,&nbsp;Huanong Cheng ,&nbsp;Shiqing Zheng","doi":"10.1016/j.seppur.2025.132928","DOIUrl":"10.1016/j.seppur.2025.132928","url":null,"abstract":"<div><div>The choice of entrainer is crucial for extractive distillation in azeotrope separation. A good entrainer improves efficiency and reduces costs, but traditional experimental screening is time-consuming. Existing computer aided methods, like the σ-profile method, don’t explain the interaction mechanisms between the entrainer and azeotropes. This work proposes a systematic approach using density functional theory (DFT) to evaluate the interaction energy differences, select the optimal entrainer, and determine the separation sequence. The molecular mechanism was analyzed using energy decomposition, intermolecular surface penetration, interaction region indicator and domain analysis, atoms-in-molecules theory, and extended transition state-natural orbitals for chemical valence. The methanol (MeOH)/methyl propionate (MP) system was used as a case study. Among various entrainers, 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide ([BMIM][NTf₂]) was found to the best. MeOH was first separated from the extraction column as a light component. Analysis showed that the interaction between [BMIM][NTf₂] and the azeotrope was primarily dominated by hydrogen bonds with dispersion interactions. The new method was validated against experimental data and proved to be more effective than the σ-profile method.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"367 ","pages":"Article 132928"},"PeriodicalIF":8.1,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798504","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":"Design and fabrication of gradient wettability PAN nanofiber membrane for enhanced liquid transport and efficient air purification","authors":"Xiao Zhu ,&nbsp;Yimei Wu ,&nbsp;Shasha Feng ,&nbsp;Xiaoyan Zhao ,&nbsp;Tingzheng Xue ,&nbsp;Zhaoxiang Zhong ,&nbsp;Jing Zhong","doi":"10.1016/j.seppur.2025.132938","DOIUrl":"10.1016/j.seppur.2025.132938","url":null,"abstract":"<div><div>Airborne particulate pollutants pose significant risks to public health and ecosystems, underscoring the urgent need for advanced air filtration materials. While nanofiber membranes have demonstrated exceptional performance, their effectiveness in high-humidity environments is often compromised by surface condensation droplets. In this study, we developed a gradient wettability polyacrylonitrile nanofiber membrane (PAN NFM), featuring a gradual transition from hydrophobicity on one side to hydrophilicity on the other across its thickness. This innovatively structure was achieved via electrospinning hydrophobic PAN NFM doped with F-TiO₂ NPs, followed by spatially selective UV irradiation to modulate pore surface chemistry and establish gradient wettability. A two-layer composite method was developed to quantitatively assess the gradient wettability structure, revealing its role in generating a continuous directional force for enhanced liquid transport. The fabricated gradient wettability PAN NFM exhibited an average pore size of 1.34 μm, a gas permeance of 907 m³·m⁻²·h⁻¹·kPa⁻¹. Under high-humidity conditions (RH = 80 %), it achieved exceptional filtration efficiency of 99.85 %, with a pressure drop of only 862 Pa, significantly lower than the 2873 Pa observed for the PAN NFM. This work establishes a paradigm for designing gradient wettability structured membranes, offering transformative potential in air purification, water treatment, and multifunctional separation technologies.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"367 ","pages":"Article 132938"},"PeriodicalIF":8.1,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823779","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":"Study on the microstructure and mechanical properties of uranium tailings reinforced by MICP under the action of activated carbon","authors":"Zhang Zhijun, Liu Bangyao, Zheng Huaimiao, Tian Yakun, Wu Lingling","doi":"10.1016/j.seppur.2025.132947","DOIUrl":"https://doi.org/10.1016/j.seppur.2025.132947","url":null,"abstract":"Microbial Induced Calcium Carbonate Precipitation (MICP), recognized as a low-carbon and environmentally sustainable consolidation technique, faces challenges related to inhomogeneous consolidation. To mitigate this issue, this study introduces activated carbon into uranium tailings. The porous structure and adsorption capacity of activated carbon enhance bacterial retention time, increase the solidification rate, and promote the growth and distribution of calcium carbonate, resulting in more uniform consolidation and improved mechanical properties of the tailings. Additionally, a novel independently developed grouting method significantly enhances the mechanical strength of the tailing sand samples. To perform a micro-scale analysis of the samples, distinct activated carbon-tailings DEM models are constructed based on varying activated carbon dosages. Physical experiments and parameter calibration are employed to investigate the micro-mechanical properties, such as velocity field and force chain distribution. Experimental and simulation results demonstrate that incorporating activated carbon increases the calcium carbonate production during the MICP process. As the activated carbon content increases, the peak stress of the tailings initially rises and then declines, reaching its maximum at 1.5 % activated carbon content. At 100 kPa confining pressure, the peak stress is 2976.91 kPa, 1.23–1.59 times that of samples without activated carbon and 6.08–7.86 times that of unconsolidated samples. Micro-scale motion analysis reveals that particle movement is predominantly axial at the ends and radial near the central axis. The initial direction of the primary force chains aligns with the loading direction. Following failure, some primary force chains dissipate, while new chains form, predominantly along the axial direction and secondarily in the horizontal direction. Compared with samples without activated carbon, those containing activated carbon exhibit more uniform force chain distribution, higher stress levels, and greater peak stress. This study offers a novel approach to enhance the stabilization and solidification efficiency of MICP and establishes a DEM model that provides valuable insights into the structural deformation and micro-mechanical characteristics of MICP-cemented materials.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"1 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806292","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":"Degradation of carbamazepine in reverse osmosis concentrate of the secondary effluent by electrochlorination and its reaction mechanism","authors":"Peiying Liu ,&nbsp;Haiyang He ,&nbsp;Liangjie Wang ,&nbsp;Pingzhou Duan ,&nbsp;Lijie Duan ,&nbsp;Feng Qian ,&nbsp;Xianghua Wen ,&nbsp;Yonghui Song","doi":"10.1016/j.seppur.2025.132952","DOIUrl":"10.1016/j.seppur.2025.132952","url":null,"abstract":"<div><div>Reverse osmosis concentrate (ROC) from the secondary effluent in municipal wastewater reclamation contains emerging pollutants (EPs) that require further treatment, as these EPs may otherwise pose risks to human health and ecological balance. Since ROC has relatively high salinity, Electrochlorination (E-Cl) could exactly be a promising technology for its EPs removal. However, a comprehensive and systematic investigation has yet to be carried out. In this study, targeted at E-Cl process for the ROC treatment, a series of conscientiously designed experiments were conducted to evaluate the removal performance of carbamazepine (CBZ), investigate the effects of operating conditions and water matrix on the CBZ removal, and reveal its reaction mechanisms. An excellent CBZ removal efficiency of 99.8 % was achieved within 30 min at 2 mA cm⁻² in 5 mM NaCl solution. Among water matrix components, SO₄^2-, NO₃^–, PO₄^3- and NH₄⁺ showed minimal effects, whereas HCO₃^– and humic acid had significant influences on the CBZ removal. The roles of ClO• and Cl₂•^- radicals in the E-Cl process were clarified through quenching experiments combined with electron paramagnetic resonance and radical probe tests. The steady-state concentrations of ClO• (88.95 × 10^-14 M) and Cl₂•^- (493.02 × 10^-14 M) were much higher than those of HO• (6.91 × 10^-14 M). Both ClO• and Cl₂•^- played key roles in CBZ degradation in the E-Cl process. Probable degradation pathways of CBZ were proposed based on the intermediates identification and density function theory (DFT) calculations. This study demonstrates the potential of E-Cl systems for effective EPs removal in ROC, providing mechanistic insights for practical applications.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"367 ","pages":"Article 132952"},"PeriodicalIF":8.1,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820208","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":"Engineering multifunctional and robust superhydrophilic nanofiber contamination resistance membranes for ultrafast oil–water separation","authors":"Liangyu Wu ,&nbsp;Zhiwei Zhao ,&nbsp;Anqi Dou ,&nbsp;Dongru Chen ,&nbsp;Qiuyu Miao ,&nbsp;Yushu Sui ,&nbsp;Yixuan Liu ,&nbsp;Junyuan Yang ,&nbsp;Jinhui Pang ,&nbsp;Ning Cao ,&nbsp;Chunxia Chen","doi":"10.1016/j.seppur.2025.132868","DOIUrl":"10.1016/j.seppur.2025.132868","url":null,"abstract":"<div><div>The high demand for super-stable, environmentally friendly and multifunctional filtration membranes remains an unsolved challenge in practical complex oily wastewater treatment systems. Here, we proposed on-demand superhydrophilic and contamination resistant PLA@PAN/NiCo-LDH by facile secondary electrostatic spinning technology. The results showed that the membranes can reach ultra-high flux for various oil-in-water emulsions, the n-hexane-in-water emulsions flux can up to 12,316 L·m⁻²·h⁻¹·bar⁻¹. Meanwhile, the membranes can effectively degradate of dye wastewater in a short period of time. Most importantly, PLA@PAN/NiCo-LDH maintain outstanding stability under a variety of harsh conditions, even after 30 days of immersion in strong acids, bases and high salt concentrations, as well as under UV radiation, the separation performance of PLA@PAN/NiCo-LDH still remain unchanged. The as-prepared membranes exhibited good contamination resistance, nearly complete oil rejection (&gt;99 %) and flux recovery up to 89.2% after a continuous 30-cycle operation. Due to the biodegradable properties of the membrane material itself, waste membranes can be efficiently recycled. Surprisingly, the recovered PAN/NiCo-LDH functional layer can be recovered again by electrostatic spinning technology. Overall, the combination of PLA, PAN and NiCo-LDH created a multifunctional surface which induces superhydrophilic character and can be used future practical oily wastewater treatment.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"367 ","pages":"Article 132868"},"PeriodicalIF":8.1,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798508","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":"Microstructure and molecular mechanism of chromium retention to schwertmannite in acidic sulfate environments","authors":"Wenying Zhang ,&nbsp;Lu Han ,&nbsp;Shuqing Peng ,&nbsp;Yun Chen ,&nbsp;Hongping Chen ,&nbsp;Yulu Ai ,&nbsp;Lei Yang ,&nbsp;Jing Li ,&nbsp;Mengfang Chen","doi":"10.1016/j.seppur.2025.132934","DOIUrl":"10.1016/j.seppur.2025.132934","url":null,"abstract":"<div><div>Schwertmannite affects the immobilization of chromium in acidic environment, yet the precise mechanism underlying chromium retention remains obscure and poorly understood. This study systematically examines incorporation behavior of Cr(VI) into schwertmannite which may be an important Cr host phase in acidic iron and sulfate rich environments. Through controlled synthesis of schwertmannite with varying Cr/Fe ratios (0.002–0.2), we employed a comprehensive analytical approach combining acidic ammonium oxalate (AAO) dissolution kinetics, SEM-EDS-Mapping, FTIR, XRD and the high-resolution XPS to provide detailed information regarding the Cr incorporation mechanisms. Long-term (31-day) incubation experiments were conducted to assess the impact of Cr incorporation on schwertmannite formation and the behavior of S and Cr during mineral phase transformation. It is found that moderate Cr incorporation (Cr/Fe ≤ 0.05) significantly enhances schwertmannite stability, following the order of SCH-Cr-0.05 &gt; SCH-Cr-0.01 &gt; SCH-Cr-0.002 &gt; SCH, while effectively retarding Cr release. However, structural collapse and decreased stability occur when the Cr/Fe ratio exceeds 0.05. The outer-sphere bounded sulfate decreases from 52.2 % to 48.6 % and 41.4 % in SCH, SCH-Cr-0.01 and SCH-Cr-0.1, respectively. Two distinct incorporation pathways of Cr substitution for SO₄ and Cr substitution for Fe were deduced by extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional theory (DFT) calculations. These insights implies that Cr-incorporated schwertmannite could serve as a viable, long-duration sequestration site for Cr in acid mine drainage (AMD) environments.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"367 ","pages":"Article 132934"},"PeriodicalIF":8.1,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823778","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 evolution of Ge occurrence state and Si-Ge relationship during precipitation-dissolution enrichment to recover scattering metals from Zn concentrate leaching solution","authors":"Shizhe Chen, Weinan Dong, Weisong Zhao, Wen Qiang, Xiangxiang Chen, Bao Guo, Kaixi Jiang","doi":"10.1016/j.seppur.2025.132922","DOIUrl":"https://doi.org/10.1016/j.seppur.2025.132922","url":null,"abstract":"Germanium is one of the strategic scattering metals, and recovering a minor concentration of scattering metals from zinc concentrate’s leaching solution is an essential resource worldwide. Practically, neutralizing precipitation and the subsequent dissolution are implemented to enrich scattering metals from zinc leaching solution, facilitating further extraction of Ge and others. Silicon poses significant challenges to the efficient extraction of Ge due to their similar chemical property and the inert nature of silica. However, the evolution of the Ge occurrence state, especially its relationship with Si, during the precipitation and dissolution process in zinc hydrometallurgy is unclear, and there is a lack of an effective method to separate Si/Ge. This paper started with a detailed characterization and leaching behavior of Ge-enriched residue obtained from the plant, followed by a systematic investigation of Ge behavior in synthetic Si/Ge binary and Fe/Si/Ge ternary systems. Eventually, options for Ge enrichment from zinc leaching solution and Si/Ge separation are recommended, providing a practical framework for mitigating the negative influence of Si on the extraction of Ge in zinc hydrometallurgy. The significant findings are that Ge/Si are both presumably co-adsorbed by Fe(OH)₃ colloids upon neutralization to pH 5 of zinc leaching solution, which could be acid redissolved at the unrealistically high liquid-to-solid ratio of 200/1 at the practically meaningful liquid-to-solid ratio of 5/1, Si concentration is high enough to quickly condense and polymerize, resulting the formation of silica precipitate and permanent encapsulating of Ge into silica; interestingly, the Si-O-Ge bonding becomes weakened with pH increasing up to alkaline region and Ge leaching rate exceeding 80% at pH 10, effectively separating Ge from SiO₂.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"74 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798510","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 multilevel cladding structure of Cu-Cu2O@Fe/ZnAl-LDH as particle electrode on the degradation of nitrogen-containing disinfection","authors":"Hongyu Zhang, Fengying Zhang, Hongcheng Di, Jiahan Yang, Jinfeng Chen, Jyunhong Shen, Zhang Yan, Chang He, Xue Bai, Zhuwu Jiang","doi":"10.1016/j.seppur.2025.132951","DOIUrl":"https://doi.org/10.1016/j.seppur.2025.132951","url":null,"abstract":"Nitrogen-containing disinfection by-products (N-DBPs) generated during the disinfection of drinking water have received widespread attention for their high cytotoxicity and genotoxicity, which are difficult to remove using traditional treatment techniques, posing a potential threat to the ecological environment and human health. In this study, in-situ multilevel cladding structure of Cu-Cu₂O@Fe/ZnAl-LDH is designed to remove the disinfection by-product trichloroacetamide (TCAcAm). This novel structure benefits from an accelerated electron transfer process and effectively protects Fe from leaching, as demonstrated by modern characterization and analytical techniques, making the composite material promising for excellent electrochemical performance as a particle electrode in our system. The main reason is the introduction of highly active catalytic sites from this multilevel cladding structure, which can enhance the removal efficiency of halogenated nitrogen-containing disinfection by-products. The optimal degradation efficiency of TCAcAm by Cu-Cu₂O@Fe/ZnAl-LDH particle electrode is 96.87 % under the operation conditions of 0.21 mol/L electrolyte, 3.5 mA/cm² current density, and 0.5 L/min flow rate. Based on electron paramagnetic resonance (EPR) measurement and identification of free radical quenching tests, it is elucidated that the removal of TCAcAm is accomplished by the combination of OH, •O₂^–, and ¹O₂. The role of the heterojunction between Cu-Cu₂O@Fe and ZnAl-LDH in pollutant degradation was further investigated using Density Functional Theory (DFT) calculations. The possible degradation pathways of the pollutants are obtained by GC–MS and LC-MS tests.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"47 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806294","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":"From precious metal recovery to value-added MOF synthesis: Stable ZIF-8-hydrogel beads for sustainable multistage pollutant treatment","authors":"Shuang Gai ,&nbsp;Zhiyuan Feng ,&nbsp;Shishun Wang ,&nbsp;Xinru Xu ,&nbsp;Wenbo Liang ,&nbsp;Yixiong Hu ,&nbsp;Fangjun Lou ,&nbsp;Kui Cheng ,&nbsp;Fan Yang","doi":"10.1016/j.seppur.2025.132900","DOIUrl":"10.1016/j.seppur.2025.132900","url":null,"abstract":"<div><div>Traditional copper-containing wastewater management has raised attention of remediation and recovery of precious metal, while the removal of emerging organic pollutants has become one of the more challenging issues in water treatment. Hence, ZIF-8 doped Sodium alginate (SA) is used to prepare ZIF-8@SA gel beads for Cu²⁺ recovering, and 2-methylimidazole is introduced into ZIF-8@SA coordinating with the recovered Cu²⁺ to prepare an adsorbent (named ZIF-8@SA@Cu-MOF) for the efficient removal of tetracycline hydrochloride (TC) in this study. The excellent adsorption performance of ZIF-8@SA is significantly optimized due to the electrostatic attraction, complexation reaction, coordination reaction, and ion exchange. The adsorption capacity for Cu²⁺ reaches 182.61 mg/g, indicating a substantial presence of Cu²⁺ in the material that offers ample synthesis sites for the in-situ formation of Cu-MOF. The maximum adsorption capacity of prepared ZIF-8@SA@Cu-MOF for TC reached 152.2 mg/g, attributed to the stability of material and strong interaction with TC molecules. Safety evaluation experiments show that the maximum leaching concentration (1.57 mg/L) of Cu²⁺ from ZIF-8@SA@Cu-MOF is below the regulatory limit of 2 mg/L, confirming its safe application. This study addresses the gap in heavy metal recovery and organic pollutant treatment, with significant implications for industrial wastewater management and contaminant remediation.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"367 ","pages":"Article 132900"},"PeriodicalIF":8.1,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798503","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":"One-step synthesis of reduced graphene oxide/activated carbon composite for efficient removal of per- and polyfluoroalkyl substances from drinking water: Adsorption mechanisms and DFT study","authors":"Riaz Ahmad ,&nbsp;Xuejiao Liu ,&nbsp;Hafiza Nabila Ilyas ,&nbsp;Poonnawit Hanphaiboon ,&nbsp;Wenxuan Wang ,&nbsp;Muhammad Noman ,&nbsp;Beibei Pan ,&nbsp;Yin Wang","doi":"10.1016/j.seppur.2025.132797","DOIUrl":"10.1016/j.seppur.2025.132797","url":null,"abstract":"<div><div>This study illustrates the synthesis, efficiency, and the mechanism of a novel reduced graphene oxide (RGO)/activated carbon (AC) (RGO/AC) composite to adsorb the lower concentration per- and polyfluoroalkyl substances (PFAS) in drinking water. The study integrates the experimental and Density Functional Theory (DFT) analyses, while emphasizing the role of graphene oxide (GO) on physicochemical properties of AC and enhancement of PFAS adsorption. The synthesized composites were characterized using several techniques prior to static evaluation for the adsorption of long and short-chain PFAS. Results indicated that RGO layers were uniformly anchored on AC surface. The RGO/AC composite exhibited larger specific surface area (S_BET), higher mesoporous ratio, and contact angle than the AC synthesized under similar conditions. The C–H bonds on RGO/AC composite surface disappeared, while H content in RGO/AC composite was reduced compared to that of individual AC. The respective adsorption rates (K₂) of perfluorooctane sulfonates (PFOS), perfluorooctanoic acid (PFOA), perfluorobutane sulfonate (PFBS) and perfluorobutyric acid (PFBA) by RGO/AC composite were 1.67, 1.70, 2.52, and 1.80 times higher than those of AC, individually. Meanwhile, the respective adsorption affinities (K_F) of PFOS, PFOA, PFBS and PFBA using RGO/AC composite were 2.24, 2.14, 1.36 and 1.60 times higher than those of AC. PFAS molecules were adsorbed by RGO/AC composite through multilayer heterogeneous, spontaneous and exothermic process, where adsorption behavior of PFOS and PFOA was significantly altered. The hydrophobic interactions, electrostatic forces and hydrogen bonding were dominant between PFAS molecules and RGO/AC composite. Meanwhile, DFT simulation of PFAS molecular dynamics on RGO/AC composite consistently suggested the spontaneous adsorption. The RGO/AC composite would be a promising material for effectively removing PFAS from drinking water.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"367 ","pages":"Article 132797"},"PeriodicalIF":8.1,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823703","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}