Xinglu He, Erjun Bu, Yan Zhou, Xiangxin Xue, He Yang, Jianxing Liu, Gongjin Cheng
{"title":"Straw-assisted magnetization roasting of Bayan Obo tailings to facilitate Fe–REE separation","authors":"Xinglu He, Erjun Bu, Yan Zhou, Xiangxin Xue, He Yang, Jianxing Liu, Gongjin Cheng","doi":"10.1016/j.seppur.2026.140758","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.140758","url":null,"abstract":"Bayan Obo tailings contain Fe-bearing and rare-earth-bearing components whose complex mineral associations hinder selective resource recycling. Here, straw-assisted magnetization roasting was evaluated as a separation-conditioning step before magnetic separation to preferentially transfer Fe-bearing components into the magnetic concentrate while minimizing the loss of rare-earth-bearing components and retaining them in the magnetic tailings. Thermodynamic calculations and TG-DTG-DSC analysis indicated that straw pyrolysis may generate CO- and H<ce:inf loc=\"post\">2</ce:inf>-containing reducing species that promote hematite-to-magnetite transformation, whereas excessive reduction, ash-derived components, sintering and composite inclusions may weaken separation selectivity. The relatively favourable process conditions were 5 wt% straw addition, 550 °C roasting temperature, 60 min roasting time, 30 s ball-milling time and 125 mT magnetic field intensity. Under these conditions, the magnetic concentrate reached 57.92% TFe with 59.64% iron recovery, while the Ce, La and Nd recoveries in the magnetic tailings were 99.70%, 99.09% and 99.12%, respectively. These results indicate selective Fe removal with high retention of Ce, La and Nd as representative indicators for the light-rare-earth-dominated components in the non-magnetic fraction.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"261 1","pages":"140758"},"PeriodicalIF":8.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358781","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}
Yi Yang, Tianshuo Zheng, Ao Yang, Jiaxing Zhu, Bo Zhang
{"title":"Novel energy-efficient pressure-swing heterogeneous azeotropic distillation with active feed-composition regulation for separating multi-azeotropic mixture","authors":"Yi Yang, Tianshuo Zheng, Ao Yang, Jiaxing Zhu, Bo Zhang","doi":"10.1016/j.seppur.2026.140819","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.140819","url":null,"abstract":"Distillation-based separation processes are highly energy-intensive, making energy efficiency essential for sustainable chemical manufacturing. Pressure-swing heterogeneous azeotropic distillation (PSHAD) is an effective entrainer-free distillation technology for azeotropic separation. However, in conventional PSHAD design, both separation feasibility and energy performance are strongly constrained by the feed composition. To address this limitation, this work proposes an active feed-composition regulation strategy based on internal product-water recycle (RE), using the recovery of ethyl acetate (EtAc) and methanol (MeOH) from the EtAc/MeOH/water ternary system as a case study. In the proposed PSHAD-RE process, part of the high-purity water recovered from the MeOH/H<ce:inf loc=\"post\">2</ce:inf>O column is recycled to the decanter feed, shifting the feed composition toward the water-rich region, reducing recycle circulation and high-pressure operation. Ternary phase-diagram analysis, distillation-boundary analysis, liquid-liquid equilibrium analysis, and lever-rule analysis were performed to elucidate the underlying mechanism. A parallel genetic algorithm coupled with Aspen Plus was employed for process optimization, and intercolumn heat integration was further introduced to develop HIPSHAD-RE. Compared with the conventional HIPSHAD process, the proposed HIPSHAD-RE process reduced the operating pressure of the high-pressure column from 30.0785 to 8.8031 atm and the recycle flow rate from 171.768 to 33.4991 kmol/h. Compared with ED-IPSRC and HIPSHAD, HIPSHAD-RE reduced total annual cost by 49.70% and 51.60%, and CO<ce:inf loc=\"post\">2</ce:inf> emissions by 52.74% and 50.75%, respectively. Moreover, its exergy efficiency increased by 120.14% and 118.16%, respectively. These results demonstrate that active feed-composition regulation coupled with heat integration provides an effective strategy for energy-efficient and sustainable multicomponent azeotropic separation.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"6 1","pages":"140819"},"PeriodicalIF":8.6,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358782","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}
Wanzhong Yin, Yuxuan Fan, Jin Yao, Wenju Sun, Jianwei Yu, Ruohan Lin
{"title":"Selective flotation separation of smithsonite from quartz using an SHMP-assisted Na2S–DDA–MFSP system","authors":"Wanzhong Yin, Yuxuan Fan, Jin Yao, Wenju Sun, Jianwei Yu, Ruohan Lin","doi":"10.1016/j.seppur.2026.140748","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.140748","url":null,"abstract":"The selective flotation separation of smithsonite from quartz remains challenging because of the insufficient interfacial selectivity of conventional sulfidization–amine flotation systems. In this study, a sodium hexametaphosphate (SHMP)-assisted Na<ce:inf loc=\"post\">2</ce:inf>S–dodecylamine (DDA)–microfine sulfur particle (MFSP) flotation strategy was developed to enhance smithsonite–quartz separation. The effects of SHMP pretreatment and the DDA/MFSP addition sequence were systematically investigated through flotation tests, surface characterization, and extended Derjaguin–Landau–Verwey–Overbeek (EDLVO) calculations. The results showed that the Na<ce:inf loc=\"post\">2</ce:inf>S–DDA system enhanced smithsonite floatability but also induced considerable quartz flotation because of the nonselective adsorption of DDA. MFSP acted as an auxiliary collector, and its attachment to smithsonite was strongly dependent on the reagent addition sequence. DDA pre-adsorption on sulfidized smithsonite created a more favorable interfacial condition for subsequent MFSP attachment, thereby enhancing surface hydrophobicity and flotation recovery. SHMP selectively regulated the two mineral surfaces by markedly suppressing DDA adsorption and MFSP attachment on quartz while largely preserving the hydrophobic modification of smithsonite. EDLVO analysis further demonstrated that MFSP attachment to smithsonite remained energetically favorable, whereas its interaction with quartz was restricted by stronger electrostatic repulsion and an unfavorable interaction-energy barrier after SHMP treatment. Under the optimized SHMP+Na<ce:inf loc=\"post\">2</ce:inf>S + DDA + MFSP scheme, a selectivity index of 4.28 was achieved in artificial mixed-mineral flotation. These findings reveal the role of sequence-dependent particle attachment and mineral-selective interfacial regulation in multicomponent flotation systems, providing a mechanistic basis for improving smithsonite–quartz separation.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"12 1","pages":"140748"},"PeriodicalIF":8.6,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149359016","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":"CO2-driven carbonation-decomposition cycle for purification of hydrated magnesium carbonates: Mechanism and kinetics of carbonation step","authors":"Jingxin Wang, Chenglin Liu, Jianguo Yu","doi":"10.1016/j.seppur.2026.140812","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.140812","url":null,"abstract":"Although CO<ce:inf loc=\"post\">2</ce:inf> mineralization of magnesium-rich minerals is widely recognized as a promising carbon-reduction route for CO<ce:inf loc=\"post\">2</ce:inf> mitigation, the crude hydrated magnesium carbonates (HMCs) obtained contain high levels of impurities, and their high-value utilization is hindered by the lack of a purification strategy. This study addresses this gap by proposing a CO<ce:inf loc=\"post\">2</ce:inf>-driven carbonation-decomposition cycle for HMCs purification and elucidating the mechanism and kinetics of the initiating carbonation step. Thermodynamic analysis indicated that the carbonation of nesquehonite and hydromagnesite was feasible at ambient temperature and pressure, with the deleterious impurities selectively separated. Experiments on temperature, liquid-to-solid ratio, and stirring speed identified the gas-liquid mass transfer of CO<ce:inf loc=\"post\">2</ce:inf> as the rate-controlling step. A kinetic model based on the two-film theory was developed to quantify the controlling resistance. In addition, the model revealed that the decrease in carbonation rate with increasing temperature was dominated by thermodynamic rather than kinetic effects, as the equilibrium Mg<ce:sup loc=\"post\">2+</ce:sup> concentration declined by approximately 40% from 15 to 35 °C while the mass-transfer coefficient increased by less than 5%. The same applied to the difference between the two HMCs. Furthermore, the purification route was validated using crude HMCs prepared from bischofite and industrial soda ash, reducing the total impurity contents below 0.02 wt%, with the crystal morphology controllable. This work offers a viable purification strategy and a thermodynamic and kinetic basis for process scale-up, paving the way for the high-value utilization of CO<ce:inf loc=\"post\">2</ce:inf> mineralization products.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"37 1","pages":"140812"},"PeriodicalIF":8.6,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358995","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}
Diogo Abreu, David Fernandes del Pozo, Saba Danesghar, Ingmar Nopens, Pablo Gallo
{"title":"On the importance of incorporating floc shape and the influence of aggregation mechanisms: A stochastic type I settling model","authors":"Diogo Abreu, David Fernandes del Pozo, Saba Danesghar, Ingmar Nopens, Pablo Gallo","doi":"10.1016/j.seppur.2026.140786","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.140786","url":null,"abstract":"Conventional drinking water treatment involves four steps: coagulation-flocculation, sedimentation, filtration, and disinfection. Since sedimentation is the primary solid-liquid separation stage of the treatment process, it strongly influences treatment performance and optimisation. Unfortunately, the prevailing optimisation strategies do not explicitly incorporate the physical properties of flocs that govern floc settling, such as size and shape, despite their known relevance. Consequently, this work presents the development, calibration, and validation of a new stochastic type I settling modelling framework capable of not only predicting the characteristics of the supernatant in terms of Particle Size Distribution (PSD), but also the residual floc concentration. Three formulations of a settling velocity equation were tested. The first assumes that a single average fractal dimension is sufficient to describe the floc population, whereas the second and third treats it as a distributed property. The difference between these last two is related to how aggregation mechanisms are assumed to influence floc structure and, ultimately, floc settling. The comparison of the results obtained with the three approaches clearly demonstrate the need of considering structural heterogeneity and of incorporating system-specific aggregation behaviour. Overall, this study lays the groundwork for more robust and explainable optimisation strategies that can be highly relevant to the digitalisation and sustainability of water treatment.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"101 1","pages":"140786"},"PeriodicalIF":8.6,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149359015","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":"Open-metal-site-enabled preferential CH4 transport in Mg-MOF-74/Pebax mixed-matrix membranes","authors":"Tong Li, Pengtian Shi, Kaidi Li, Yongxin Shang, Cuihua Ma, Jiaqi Liu, Yongqiang Ren, Shisen Xu, Jiangfeng Yang, Jinping Li, Yong Wang","doi":"10.1016/j.seppur.2026.140815","DOIUrl":"https://doi.org/10.1016/j.seppur.2026.140815","url":null,"abstract":"Efficient CH<ce:inf loc=\"post\">4</ce:inf>/N<ce:inf loc=\"post\">2</ce:inf> separation remains challenging because of the similar kinetic diameters and physicochemical properties of the two gases. In this work, Mg-MOF-74 with a high density of coordinatively unsaturated Mg<ce:sup loc=\"post\">2+</ce:sup> sites was incorporated into Pebax 2533 to construct preferential CH<ce:inf loc=\"post\">4</ce:inf> transport pathways in mixed-matrix membranes (MMMs). Its external surface was further functionalized with 1H,1H,2H,2H-perfluorooctyltriethoxysilane (FOTS) to improve interfacial compatibility with the polymer matrix. The incorporation of Mg-MOF-74 enhanced CH<ce:inf loc=\"post\">4</ce:inf>/N<ce:inf loc=\"post\">2</ce:inf> separation performance, potentially through the combined contributions of its porous framework and open Mg<ce:sup loc=\"post\">2+</ce:sup> sites, while FOTS functionalization improved the interfacial morphology and reduced observable defects. The optimal membrane containing 20 wt% F-Mg-MOF-74 achieved a CH<ce:inf loc=\"post\">4</ce:inf> permeability of 60.74 Barrer and a CH<ce:inf loc=\"post\">4</ce:inf>/N<ce:inf loc=\"post\">2</ce:inf> selectivity of 5.10 at 298 K and 1 bar for an equimolar CH<ce:inf loc=\"post\">4</ce:inf>/N<ce:inf loc=\"post\">2</ce:inf> mixture, corresponding to an approximately 120% increase in selectivity relative to neat Pebax 2533. Solution-diffusion analysis revealed that the performance enhancement mainly originated from increased diffusion selectivity, accompanied by a moderate improvement in solubility selectivity. These results demonstrate that open-metal-site-containing porous fillers can effectively regulate preferential CH<ce:inf loc=\"post\">4</ce:inf> transport, while interfacial functionalization enables their intrinsic separation properties to be translated into membrane-level performance.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"26 1","pages":"140815"},"PeriodicalIF":8.6,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358776","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}
Fangchong Han, Bin Zhang, Jun Ke, Lijun Niu, Jie Liu, Lidong Wang
{"title":"Recent advances in asymmetrically coordinated single-atom catalysts for peroxymonosulfate activation toward non-radical pathways","authors":"Fangchong Han, Bin Zhang, Jun Ke, Lijun Niu, Jie Liu, Lidong Wang","doi":"10.1016/j.seppur.2026.140573","DOIUrl":"10.1016/j.seppur.2026.140573","url":null,"abstract":"<div><div>Conventional single-atom catalysts (SACs) with symmetric coordination architectures feature uniform electron distribution and predominantly initiate radical-mediated pathways during peroxymonosulfate (PMS) activation, yet practical applicability of SACs is severely hampered by interferences from complex water matrices. In contrast, asymmetrically coordinated single-atom catalysts (AC-SACs) break the electronic symmetry around metal centers, enabling selective non-radical route dominance and thus representing a promising strategy for boosting catalytic performance. Unlike previous reviews, this review is the first to take asymmetric coordination as the central theme and systematically review AC-SACs for non-radical PMS activation. In particular, it innovatively discusses the formation mechanisms of non-radical pathways and analyzes the associated controversies. Four representative types of asymmetric coordination configurations are classified and linked to synthesis strategies, support materials, and advanced characterization techniques. Furthermore, the selectivity of reactive species is analyzed from mechanistic perspectives including localized polarization electric fields, d-band centers, and spin states, and practical application devices loaded with AC-SACs are discussed. Finally, the major challenges and future research directions in this emerging field are outlined, offering new insights for the rational design of high-efficiency PMS activation catalysts.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"422 ","pages":"Article 140573"},"PeriodicalIF":9.1,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149204291","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}
Q. Hong, X.H. Chen, L. Pang, Y. Huang, M.X. Fang, L. Jiang
{"title":"Modeling of CO2 absorption in aqueous monoethanolamine with weighted carbamate and bicarbonate pathways","authors":"Q. Hong, X.H. Chen, L. Pang, Y. Huang, M.X. Fang, L. Jiang","doi":"10.1016/j.seppur.2026.140522","DOIUrl":"10.1016/j.seppur.2026.140522","url":null,"abstract":"<div><div>For the monoethanolamine (MEA)-H<sub>2</sub>O-CO<sub>2</sub> system, statistical associating fluid theory (SAFT) can implicitly represent chemical reactions through specific cross-association interactions, avoiding explicit ionic species and chemical equilibrium relations. However, CO<sub>2</sub> absorption in aqueous MEA involves carbamate and bicarbonate pathways with CO<sub>2</sub>: MEA stoichiometric ratios of 1:2 and 1:1, respectively, and their relative contributions vary with loading and temperature. The existing models use two non-equivalent CO<sub>2</sub> reactive sites to improve fitting, but these sites lack clear correspondence with the actual reaction pathways. Here, we develop a pathway-weighted association approach based on the perturbed-chain statistical associating fluid theory (PC-SAFT). Symmetric two-site and single-site association schemes represent the carbamate and bicarbonate pathways while a loading- and temperature-dependent pathway weight regulates their relative contributions. For 30 wt% aqueous MEA at CO<sub>2</sub> loadings of 0.1–1.0 mol CO<sub>2</sub>/mol MEA and temperatures of 313.15–393.15 K, the average absolute relative deviation (AARD) for equilibrium CO<sub>2</sub> partial pressure is 1.53%, compared with 15.59% for the asymmetric two-site model. Over 0.1–0.7 mol CO<sub>2</sub>/mol MEA, the carbamate fraction agrees with reference species distributions from an electrolyte non-random two-liquid (eNRTL) model with an AARD of 5.51%. For CO<sub>2</sub> absorption enthalpy, the AARD decreases from 14.29% to 9.48%. The proposed approach may provide a basis for extension to other alkanolamine and polyamine systems involving multiple CO<sub>2</sub> absorption pathways.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"422 ","pages":"Article 140522"},"PeriodicalIF":9.1,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149204786","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}
Yuzhi Ming, Yan Zhang, Zhiyong Zheng, He Liu, Feifei Li, Feng Cao, Donghui Wen, Lyujun Chen
{"title":"Preparation of iron‑nitrogen co-doped biochar from blue-green algae to activate persulfate for antibiotic degradation: Effect of different iron conditioning options","authors":"Yuzhi Ming, Yan Zhang, Zhiyong Zheng, He Liu, Feifei Li, Feng Cao, Donghui Wen, Lyujun Chen","doi":"10.1016/j.seppur.2026.140582","DOIUrl":"10.1016/j.seppur.2026.140582","url":null,"abstract":"<div><div>Pyrolysis-based biochar production represents a promising pathway for the resource utilization of salvaged blue-green algae. Since iron-based conditioning is commonly employed to enhance the dewaterability of algal slurry in practical treatment processes, this study systematically compared the effects of different iron conditioning methods (FeSO<sub>4</sub>, FeCl<sub>3</sub>, and Fenton) on the properties and catalytic performance of derived biochars. Iron doped and iron‑nitrogen co-doped biochars prepared from conditioned algae were evaluated for peroxymonosulfate (PMS) activation and antibiotic degradation. The iron‑nitrogen co-doped biochar derived from Fenton-conditioned algae (FZBC800U) exhibited superior performance, achieving 99.6% levofloxacin removal within 80 min via a singlet oxygen-dominated non-radical pathway. Characterization revealed that Fenton conditioning yielded the highest Fe<img>N species content, abundant pyridinic nitrogen, and optimal structural properties among the tested conditioning methods. The system maintained high efficiency across broad pH ranges of 3–11, demonstrated strong anti-interference capability, and showed good reusability. When applied to real pharmaceutical wastewater, it achieved 99.9% removal of total detected antibiotics. This work not only confirms the feasibility of converting algal biomass into efficient catalysts but also provides scientific guidance for selecting iron conditioning strategies in practical algal sludge treatment.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"422 ","pages":"Article 140582"},"PeriodicalIF":9.1,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149204290","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}
Dongkyu Kim, Sunyoung Oh, Woo Hyung Park, Ik-Jong Choi, Lauren Ye Seol Lee, Boram Gu
{"title":"Hybrid first-principles and neural-network modeling for reverse osmosis: predicting long-term performance degradation under industrial data uncertainty","authors":"Dongkyu Kim, Sunyoung Oh, Woo Hyung Park, Ik-Jong Choi, Lauren Ye Seol Lee, Boram Gu","doi":"10.1016/j.seppur.2026.140539","DOIUrl":"10.1016/j.seppur.2026.140539","url":null,"abstract":"<div><div>Reverse osmosis (RO) is widely used for seawater desalination, water treatment, and product concentration, yet long-term performance degradation remains difficult to predict because fouling and membrane deterioration arise from coupled physical, chemical, and biological phenomena under variable industrial conditions. We developed a hybrid modeling (HBM) framework combining a first-principles RO model (FPM) with a deep neural network and applied it to an industrial two-stage RO system concentrating byproducts from methionine fermentation. The framework used 251 days of plant data, with 205 daily-averaged observations retained after cleaning, and was benchmarked against DNN, SVM, and LSTM models using a chronologically held-out test period evaluated by expanding-window walk-forward validation. The HBM achieved competitive accuracy while maintaining physical consistency, with the lowest RMSE for final retentate pressure (0.15 bar vs. 0.48 bar) and overall acetic acid (Ac) rejection (8.15% vs. 15.12%) relative to the best data-driven benchmark. Mean flow and Ac mass-balance errors also remained on the order of <span><math><msup><mn>10</mn><mrow><mo>−</mo><mn>5</mn></mrow></msup><mo>%</mo></math></span>, substantially below those of the purely data-driven models. In addition, the HBM estimated otherwise unmeasurable stage-dependent degradation parameters. Water permeability decreased by approximately 52% and 45% in Stages 1 and 2 within the first ~20 days, while feed-channel friction factors increased by approximately 1.3% and 2.5% within the first ~60 days, with the Stage 2 increase comparable to run-to-run variability. These results show that the HBM combines predictive accuracy, physical consistency, and interpretable stage-wise information, supporting industrial process monitoring and future fouling management.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"422 ","pages":"Article 140539"},"PeriodicalIF":9.1,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149204787","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}