{"title":"An integrated coalescence-air stripping process for deepwater gas field produced water treatment","authors":"Jinwei Xue, Pinyi Dai, Guangyao Zhang, Zhongning Cao, Yaohua Huang, Yu Li, Yiqian Liu, Hao Lu, Qiang Yang","doi":"10.1016/j.seppur.2026.137098","DOIUrl":"10.1016/j.seppur.2026.137098","url":null,"abstract":"<div><div>The exploration and development of offshore gas fields are continuously expanding into deeper sea areas. The produced water from gas field platforms has complex organic components, which poses significant challenges to the discharge of produced water and the increase of natural gas production. Based on a comprehensive analysis of the produced water characteristics from the platform, it is found that the produced water contains a large number of submicron-sized oil droplets with strong stability. Therefore, this study explored the feasibility of the integrated coalescence-air stripping physical treatment method. Among them, the composite fiber knots (CFK) coalescing filter can efficiently disrupt the stability of emulsions and remove oil from water. The air stripping effectively enhances the evaporation of volatile organic compounds. The results of the on-site tests show that this integrated physical process has excellent separation efficiency for different types of produced water, and the oil content in the process effluent can be reduced to 35 mg/L during long-term operation. This integrated coalescence-air stripping process not only successfully provides a promising technical solution for the produced water treatment, but also offers strong support for promoting clean production and ecological protection</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"392 ","pages":"Article 137098"},"PeriodicalIF":9.0,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172353","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}
Zhilong Huo , Yang Liu , Bofang Shi , Chunrong Yang , Xuyan Hu , Xiaofei Wang , Honghui Yang
{"title":"Excellent defluoridation performance of tricalcium phosphate as seed crystal for high fluoride groundwater","authors":"Zhilong Huo , Yang Liu , Bofang Shi , Chunrong Yang , Xuyan Hu , Xiaofei Wang , Honghui Yang","doi":"10.1016/j.seppur.2026.137230","DOIUrl":"10.1016/j.seppur.2026.137230","url":null,"abstract":"<div><div>The control and removal of fluoride from groundwater is critical for the safety of drinking water and human health. In this study, a method of using tricalcium phosphate (TCP) as a seed crystal to induce fluorapatite (FAP) crystallization for fluoride removal was proposed, and its performance and mechanism were studied. With TCP dosage of 2 g/L and Ca/P/F molar ratio of 4:3:1, the F<sup>−</sup> concentration decreased from 9.5 to below 1 mg/L within 20 min and remained stable within a pH range of 3–10, superior to FAP/calcite seed crystal. However, the increased solubility of TCP at low pH leads to an increase in the proportion of homogeneous nucleation of FAP. Furthermore, the presence of Mg<sup>2+</sup>, SiO<sub>3</sub><sup>2−</sup>, HCO<sub>3</sub><sup>−</sup>, and citric acid inhibited the crystallization of FAP, leading to the reduction of defluoridation performance. Adjusting the pH of fluoridated groundwater from 8 to 6 effectively mitigated the adverse effects of high HCO<sub>3</sub><sup>−</sup> levels in groundwater. During the defluoridation in a fluidized bed reactor (FBR) for fluoridated groundwater, a stable effluent F<sup>−</sup> concentration of below 1 mg/L was demonstrated within the operation of 9 days. The potential defluoridation mechanism involves the initial binding of Ca<sup>2+</sup> and phosphate ions to form various intermediate species, the interaction of intermediates with F<sup>−</sup> and Ca<sup>2+</sup> to generate FAP, and the dissolution or aggregation with other nuclei on the seed crystal surface. This study could provide references on the possible application of TCP in groundwater defluoridation.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"392 ","pages":"Article 137230"},"PeriodicalIF":9.0,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172560","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}
Yingzhe Yu , Guowen Cai , Jiamei Shi , Minhua Zhang
{"title":"Vapor-liquid equilibrium and process simulation of aromatic hydrocarbon extraction using N-Formylmorpholine","authors":"Yingzhe Yu , Guowen Cai , Jiamei Shi , Minhua Zhang","doi":"10.1016/j.seppur.2026.137233","DOIUrl":"10.1016/j.seppur.2026.137233","url":null,"abstract":"<div><div>Catalytic reforming is a pivotal process in the petrochemical industry for producing high-octane gasoline and aromatic hydrocarbons, with its products yielding core products such as high-purity n-hexane and benzene after separation. However, due to the extremely close boiling points of the products, efficient separation is difficult to achieve through conventional distillation processes, necessitating the use of extractive distillation for separation. In this study, a multi-scale simulation approach combining quantum calculations, Gibbs Ensemble Monte Carlo (GEMC) simulations, and process simulations was employed to design and develop an efficient extractive distillation process for separating benzene and n-hexane using N-formylmorpholine (NFM) as the extractant. Quantum calculations were utilized to obtain a complete molecular force field for NFM, which was then used in GEMC simulations to generate phase equilibrium data. These data were fitted to derive binary interaction parameters, thereby facilitating the development of the extractive distillation process. The existing NFM molecular force field suffered from incomplete parameters; thus, quantum calculations were used to supplement missing parameters and optimize van der Waals parameters, resulting in a reconstructed and optimized NFM molecular force field. The isothermal vapor-liquid equilibrium (VLE) data for the NFM/n-hexane binary system obtained through simulations using this new force field showed significantly improved agreement with experimental data, solidifying the foundation for process simulation. Based on the optimized force field, further simulations were conducted to obtain atmospheric VLE data for three critical binary systems: NFM/n-hexane, NFM/2,4-dimethylpentane, and NFM/benzene. Accurate binary interaction parameters were derived by fitting these data using the NRTL-RK equation. Leveraging the aforementioned foundational data, an NFM-based extractive separation process was constructed, ultimately achieving efficient purification of the target products, yielding high-purity benzene and cyclohexane products. This significantly enhanced the separation efficiency and product value-added of catalytic reforming products, providing a practical solution for the efficient separation of catalytic reforming products.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"392 ","pages":"Article 137233"},"PeriodicalIF":9.0,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172559","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}
Jiang Li , Haoran Zhang , Sihao Fu , Yunfei Wang , Kun Liu , Yujiao Liu , Tianjie Su , Lingyu Meng , Guocheng Liu , Qinghua Yan , Chengzhi Zhou , Yanjun Xin , Shuaishuai Xin
{"title":"Boosted H2O2 activation to dissociated hydroxyl radical by regulating B sites in copper-based delafossite for contaminants degradation: Key role on adsorption configuration and occurrence forms","authors":"Jiang Li , Haoran Zhang , Sihao Fu , Yunfei Wang , Kun Liu , Yujiao Liu , Tianjie Su , Lingyu Meng , Guocheng Liu , Qinghua Yan , Chengzhi Zhou , Yanjun Xin , Shuaishuai Xin","doi":"10.1016/j.seppur.2026.137120","DOIUrl":"10.1016/j.seppur.2026.137120","url":null,"abstract":"<div><div>Regulating the activation of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) through constructing efficient metal catalysts is extensively utilized in various oxidation reaction processes. However, the exploration of the intrinsic mechanism for enhancing the effective activation of H<sub>2</sub>O<sub>2</sub> at metal sites still faces challenges. Herein, the adsorption configuration and occurrence forms of H<sub>2</sub>O<sub>2</sub> on B site in copper-based delafossite (CuBO<sub>2</sub>, B<img>Mn, Fe and Co) were demonstrated to be the core factor affecting H<sub>2</sub>O<sub>2</sub> activation to generate specific radical for doxycycline hydrochloride (DOH) degradation. The phytotoxicity and antimicrobial activity of DOH was significantly reduced by H<sub>2</sub>O<sub>2</sub> activated on Mn sites compared with Fe and Co sites. The Mn sites facilitated charge transfer between the copper-based delafossite and H<sub>2</sub>O<sub>2</sub>, and overcame the lower energy barrier (0.233 eV) of H<sub>2</sub>O<sub>2</sub> to transition state than Fe site (0.421 eV) and Co site (0.418 eV). The longest bond length of O<img>O and the shortest bond length of O<img>H in H<sub>2</sub>O<sub>2</sub> adsorbed on Mn sites promoted H<sub>2</sub>O<sub>2</sub> activation to <sup>•</sup>OH, whereas H<sub>2</sub>O<sub>2</sub> adsorbed on Fe site and Co site were more easily decomposed into HO<sub>2</sub><sup>•</sup>/<sup>•</sup>O<sub>2</sub><sup>−</sup> radicals or O<sub>2</sub> by breaking O<img>H bonds. The excessively weak binding force of Mn site promoted diffusion of <sup>•</sup>OH into solution for dissociated <sup>•</sup>OH generation, which was also confirmed by the results of experimental tests. The developed flow activated H<sub>2</sub>O<sub>2</sub> device with CuMnO<sub>2</sub> in-situ grown on copper foam (CuMnO<sub>2</sub>/Cu foam) as catalyst showed superior treatment performance of various refractory organic contaminants and anti-interference ability. The successful trial operation of flow activated H<sub>2</sub>O<sub>2</sub> device paves the way for promoting water purification and solving the problem of catalyst separation in purified water.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"392 ","pages":"Article 137120"},"PeriodicalIF":9.0,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135563","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":"Sodium alginate sustained magnetic vanadate hydr(oxide) hydrogel beads for robust, selective, and record-high uptake of tetracycline from waters","authors":"Kamatchi Rubini, Triveni Rajashekhar Mandlimath","doi":"10.1016/j.seppur.2026.137132","DOIUrl":"10.1016/j.seppur.2026.137132","url":null,"abstract":"<div><div>This study mainly focuses on the development of magnetic vanadium oxide (IVO) reinforced by sodium alginate (Alg) to form hydrogel beads. The as-prepared hydrogel beads were characterized before and after the adsorption of tetracycline (TC) by several spectro-analytical techniques, including powder XRD, FE-SEM, TGA, and XPS. The maximum adsorption densities of 3.254 mmol/g on IVO@Alg hydrogel beads were calculated by a non-linear Langmuir adsorption isotherm model. This value is one of the record-high adsorption densities among the materials reported in the literature. The chemical interaction between the adsorbent and adsorbate was confirmed by the kinetic models. The IVO@Alg hydrogel beads were independent of the pH conditions, and they could be used in the extensive pH range from 3 to 12 and were highly selective in the coexistence of binary organic solutions. After seven repeated cycle studies, the studied material showed excellent stability, confirmed by PXRD and FE-SEM analysis. The XPS analysis of TC adsorbed on IVO@Alg hydrogel beads revealed the presence of N-is the indication of successful adsorption of TC onto the IVO@Alg hydrogel beads. The material was also tested with the waters collected from the fields and found that the material is highly selective and suitable for practical applications. This adsorbent stands out as the optimal choice for eliminating TC with high stability from water, due to its remarkable adsorption capacity and simplicity of separation, attributed to its distinctive characteristics.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"392 ","pages":"Article 137132"},"PeriodicalIF":9.0,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146101345","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}
Bao Pan , Jiahao Zhang , Ruobai Li , Yanle Zhou , Jiani Qin , Rong Xu , Chuanyi Wang
{"title":"Tailoring NiFe2O4 nanoparticles via electron-rich Co centers and abundant redox pairs: boosting peroxymonosulfate activation for micropollutant degradation","authors":"Bao Pan , Jiahao Zhang , Ruobai Li , Yanle Zhou , Jiani Qin , Rong Xu , Chuanyi Wang","doi":"10.1016/j.seppur.2026.136859","DOIUrl":"10.1016/j.seppur.2026.136859","url":null,"abstract":"<div><div>The pervasive presence of pharmaceutical and personal care products (PPCPs) in water bodies underscores the urgency for the advancement of efficient and sustainable methods for their removal. Peroxymonosulfate (PMS)-based advanced oxidation processes (AOPs) have demonstrated significant potential in water purification, with their effectiveness largely hinging on the development of high-performance catalysts. In this study, cobalt-doped nickel ferrite (Co-NFO) nanocatalysts were synthesized using a sol-gel combined with calcination method to enhance PMS activation for the degradation of micropollutants. Characterization results confirmed the successful incorporation of Co into the spinel lattice of NFO, which improved phase purity and electronic properties without significantly affecting textural features. The optimized 2.5%Co-NFO catalyst demonstrated exceptional performance in the degradation of carbamazepine (CBZ), achieving a 92.7% degradation efficiency within 15 min, significantly outperforming the undoped NFO catalyst. The system demonstrated broad applicability across various micropollutants and maintained excellent stability and reusability over multiple reaction cycles. In-depth mechanistic studies, incorporating radical quenching experiments, electron paramagnetic resonance (EPR) analysis, electrochemical measurements, and density functional theory (DFT) calculations, have elucidated that the degradation process is driven by a multitude of reactive species. The enhanced catalytic activity was attributed to the improved electron transfer efficiency and stronger PMS adsorption at Co-active sites. Potential CBZ degradation pathways were proposed, and toxicity assessment indicated a general reduction in the acute toxicity of the generated intermediates. This study introduces an innovative Co-doped magnetic catalyst, which, through the doping process, significantly enhances its catalytic activity for PMS activation, thereby offering a promising solution for efficient water purification.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"392 ","pages":"Article 136859"},"PeriodicalIF":9.0,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145961868","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}
Ronaldo Antunes Funari Junior , Sabrina Frantz Lütke , Jonder Morais , Maria do Carmo Martins Alves , Marcos Leandro Silva Oliveira , Eduardo Nuno Borges Pereira , Lucas Antônio Fantinel , Lucas David Biondo , Marcelo Godinho , Cesar Aguzzoli , Guilherme Luiz Dotto
{"title":"Surface engineering of aluminum-coated açaí biochar via magnetron sputtering for high clorazepate and diclofenac adsorption","authors":"Ronaldo Antunes Funari Junior , Sabrina Frantz Lütke , Jonder Morais , Maria do Carmo Martins Alves , Marcos Leandro Silva Oliveira , Eduardo Nuno Borges Pereira , Lucas Antônio Fantinel , Lucas David Biondo , Marcelo Godinho , Cesar Aguzzoli , Guilherme Luiz Dotto","doi":"10.1016/j.seppur.2026.137156","DOIUrl":"10.1016/j.seppur.2026.137156","url":null,"abstract":"<div><div>This study evaluates the surface modification of açaí biochar (<em>Al@BC</em>) by aluminum coating via magnetron sputtering, aiming to improve its adsorption performance of clorazepate (CZ) and diclofenac (DC) from aqueous solutions. Sputtering power conditions of 100 W, 150 W, and 200 W were applied, obtaining, respectively, 0.22%, 0.40%, and 3.41% of Al-covering for the adsorbents named <em>Al@100 W</em>, <em>Al@150 W</em>, and <em>Al@200 W</em>. Kinetic analyses fitted to the pseudo-first-order model showed excellent agreement with the experimental data, with better predictive accuracy, particularly for DC. Adsorption equilibrium was achieved at 120 min for CZ and 60 min for DC. Equilibrium isotherms exhibited L2-type profile, suggesting strong adsorbate–adsorbent affinity. The Sips model best described the equilibrium data, evidencing a heterogeneous adsorption process promoted by aluminum deposition. Decreasing Sips (<span><math><mi>m</mi></math></span>) parameters with increasing sputtering power reflected enhanced surface heterogeneity and adsorption favorability. The maximum adsorption capacities reached were 260.7 mg g<sup>−1</sup> for CZ and 277.5 mg g<sup>−1</sup> for DC onto <em>Al@200 W</em>, representing an improvement of about 35% compared to raw biochar. Regeneration tests showed excellent reusability through the first five cycles; thereafter, coating deterioration greatly diminished the material's efficacy. Finally, magnetron sputtering proved to be an effective strategy, confirming that adsorption efficiency was governed by both aluminum loading and surface chemical modification, thereby enhancing adsorption capacity, affinity, and durability toward pharmaceutical contaminants.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"392 ","pages":"Article 137156"},"PeriodicalIF":9.0,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135561","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}
Dong A. Kang, Blake Trusty, Shailesh Dangwal, Benjamin T. Manard, Jordan S. Stanberry, Mariappan Parans Paranthaman, Ramesh R. Bhave, Syed Z. Islam
{"title":"Process design for recovering rare-earth elements from mine tailings with low rare-earth concentrations via sequential leaching and solvent extraction","authors":"Dong A. Kang, Blake Trusty, Shailesh Dangwal, Benjamin T. Manard, Jordan S. Stanberry, Mariappan Parans Paranthaman, Ramesh R. Bhave, Syed Z. Islam","doi":"10.1016/j.seppur.2026.137161","DOIUrl":"10.1016/j.seppur.2026.137161","url":null,"abstract":"<div><div>Rare earth elements (REEs) are essential for advanced technologies and yet face significant supply chain risks due to their concentrated global production and limited domestic availability. Addressing this challenge requires efficient processes capable of upgrading low-grade secondary resources such as mine tailings. In this study, we developed a novel separation flowsheet that integrates sequential leaching and 2-stage solvent extraction (SX) processes to recover high-purity heavy REEs (HREEs) and light REEs (LREEs) from a simulated mine-tailing concentrate containing 2.4 wt% total REEs (TREEs; 0.6 wt% LREEs and 1.8 wt% HREEs). Sequential leaching with controlled pH adjustment selectively precipitated REEs while retaining the large amount of impurities in the solution, producing an REE-enriched leachate by following leaching processes with roughly twice the REE concentration and half the impurity concentration compared to that of single-step leaching. The optimized SX flowsheet employed Cyanex 572 to extract HREEs and Fe over LREEs, followed by Fe removal using tributyl phosphate (TBP), while the raffinate stream was processed by SX with di(2-ethylhexyl)phosphoric acid (D2EHPA) to recover LREEs under optimized conditions balancing both extraction efficiency and purity. Although increased extractant availability in the organic phase improved LREE recovery, it also increased co-extraction of Ca, underscoring trade-offs in process optimization. Both HREE- and LREE-rich solutions were subsequently precipitated into solid products via oxalate precipitation, resulting in high-purity REE solids containing ∼92.0 wt% HREEs (∼95.7 wt% TREEs) and ∼92.8 wt% LREEs (∼94.0 wt% TREEs). This proof-of-concept study using simulated mine tailings demonstrates a promising approach for upgrading low-grade REE resources, while highlighting the need for future validation with real materials.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"392 ","pages":"Article 137161"},"PeriodicalIF":9.0,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116138","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":"Interpretable machine learning reveals the mechanistic pathways of CO2 capture with zeolite@MOF Core–Shell composites","authors":"Fatemeh Bahmanzadegan, Ahad Ghaemi","doi":"10.1016/j.seppur.2026.137191","DOIUrl":"10.1016/j.seppur.2026.137191","url":null,"abstract":"<div><div>This study establishes a comprehensive data-driven framework to elucidate the adsorption behavior of Zeolite@MOF core–shell under diverse physicochemical conditions. The dataset covered Si/Al ratios from 1 to 30, temperatures from 273 to 338 K, pressures from 0 to 1000 kPa, BET surface areas from 211 to 1504 m<sup>2</sup> g<sup>−1</sup>, pore volumes from 0.07 to 0.77 cm<sup>3</sup> g<sup>−1</sup>, and thermal mass losses from 3 to 23%. Response surface methodology (RSM), multiple machine-learning models, including multilayer perceptron (MLP), radial basis function (RBF), support vector machine (SVM), and XGBoost, were systematically optimized using leakage-free validation strategies. The reduced quadratic RSM model achieved strong predictive performance, with an R<sup>2</sup> of 0.9842 and an RMSE of 0.2209 mmol g<sup>−1</sup>. Among the data-driven models, the MLP achieved high accuracy (R<sup>2</sup> = 0.9926, MSE = 0.0002), whereas the RBF network provided excellent nonlinear fitting (R<sup>2</sup> = 0.9918, MSE = 0.0018). The Bayesian-optimized SVM yielded robust predictions (R<sup>2</sup> of 0.9705, Pearson r of 0.9851). Notably, XGBoost, evaluated using nested repeated cross-validation (5 × 5 outer, 5 × 2 inner), achieved the most reliable generalization, with an average R<sup>2</sup> of 0.988 ± 0.012 and an RMSE of 0.186 ± 0.021. Interpretability was achieved through SHAP analysis of the optimized XGBoost model, which quantitatively shows that material-related descriptors account for approximately 63.6% of the model-explained CO<sub>2</sub> adsorption performance, whereas operational variables account for 36.4%. From a materials-design perspective, zeolite cores with low-to-moderate Si/Al ratios combined with MOF shells incorporating intermediate-mass metals such as Zn or Cu emerge as particularly promising configurations. Therefore, this study demonstrates how interpretable machine learning can transform heterogeneous experimental data into quantitative design rules, providing a practical and predictive foundation for the rational synthesis of next-generation zeolite@MOF core–shell adsorbents for efficient CO<sub>2</sub> capture.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"392 ","pages":"Article 137191"},"PeriodicalIF":9.0,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172226","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}
Jinjing Du , Jiayi Ma , Xinxin Cui , Xun Liu , Dongbo Wang , Bin Wang , Xuan Zhang , Ruitong Zhai , Jun Zhu , Heng Zuo , Qian Li , Xihong He
{"title":"Zr and F co-modified Li2TiO3 with obviously enhanced Li+ adsorption performances","authors":"Jinjing Du , Jiayi Ma , Xinxin Cui , Xun Liu , Dongbo Wang , Bin Wang , Xuan Zhang , Ruitong Zhai , Jun Zhu , Heng Zuo , Qian Li , Xihong He","doi":"10.1016/j.seppur.2026.137043","DOIUrl":"10.1016/j.seppur.2026.137043","url":null,"abstract":"<div><div>Layered titanium lithium ion-sieve (H<sub>2</sub>TiO<sub>3</sub>, HTO) is considered among the most promising adsorbents in liquid lithium extraction technology because of its environmental friendliness, low cost and high H/Ti ratio. In this work, the precursor of Li<sub>2</sub>TiO<sub>3</sub> (LTO) was synthesized by co-doping Zr and F with a high-temperature solid phase method through density functional theory (DFT) calculations and corresponding experiments, and then the doped ion sieve (Zr/F-HTO) is obtained by elution with H<sub>2</sub>SO<sub>4</sub>. The specific surface area of Zr/F-HTO is up to 131.64 m<sup>2</sup>/g, and the adsorption capacity is 68.66 mg/g. The adsorption behavior of Zr/F-HTO on Li<sup>+</sup> is consistent with the Langmuir adsorption thermodynamic model and pseudo-second-order kinetic model. In addition, batch experiments revealed that Zr/F-HTO exhibits good lithium selectivity in simulated submerged lithium mother liquor, and the capacity retention rate is as high as 97.7% after five “adsorption-desorption” cycles. The simple economic calculation shows that the adsorbent has good industrial application potential. Therefore, the proposed Zr/F-HTO provides an economical and effective scheme for the efficient extraction of lithium from submerged lithium mother liquor.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"392 ","pages":"Article 137043"},"PeriodicalIF":9.0,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172394","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}