Separation and Purification Technology最新文献

{"title":"Unlocking efficient redox dechlorination through Fe/Fe3C nanoclusters embedded porous carbon nanofibers using capacitive deionization","authors":"Hao Zhang ,&nbsp;Xiaodie Li ,&nbsp;Xuran Yang ,&nbsp;Chunhui Xiao ,&nbsp;Miao Zhang ,&nbsp;Jiansheng Li","doi":"10.1016/j.seppur.2025.131944","DOIUrl":"10.1016/j.seppur.2025.131944","url":null,"abstract":"<div><div>Development of novel and efficient dechlorination electrodes is essential for improving the capacitive deionization (CDI) performance. Herein, we proposed a hybrid anode material with Fe/Fe₃C nanoparticles encapsulated in porous carbon nanofibers (Fe/Fe₃C@CNFs) by a polyacrylonitrile (PAN)-based electrospinning strategy and subsequent pyrolysis. The PAN can provide additional carbon resource to induce the generation of Fe₃C nanoparticles with higher valence states and hold a confinement environment to prevent the agglomeration of nanoparticles, contributing to the stable and sufficiently exposed redox-active sites. Moreover, the PAN-derived porous carbon nanofibers built a conductive network with abundant cavities and pores to facilitate electron transport. As a result, the CDI dechlorination system of Fe/Fe₃C@CNFs delivered an outstanding Cl⁻ removal capacity of 126.4 mg g⁻¹ with a high retention rate of 91.0 % over 30 cycles. The Cl⁻ adsorption mechanism of Fe/Fe₃C@CNFs was proved to originate from the fast surface transformation reaction of the reversible Fe²⁺/Fe³⁺ redox couple, demonstrating its great potential as a superior pseudocapacitive electrode for CDI dechlorination. This study provides guidance on the construction of high-performance Cl-storage electrode for water remediation.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"362 ","pages":"Article 131944"},"PeriodicalIF":8.1,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084123","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":"Investigation of the performance of high gravity rotating packed bed distillation for nitrogen removal","authors":"Amiza Surmi ,&nbsp;Azmi Mohd Shariff ,&nbsp;Serene Sow Mun Lock","doi":"10.1016/j.seppur.2025.131930","DOIUrl":"10.1016/j.seppur.2025.131930","url":null,"abstract":"<div><div>The chemical industry faces increasing pressure to improve efficiency, reduce environmental impact, and enhance safety. Process Intensification (PI) offers a transformative approach to address these challenges by enabling the development of game-changing technologies with smaller equipment footprints and more economically attractive solutions. This work explores the potential of a novel Cryogenic Rotating Packed Bed (CryoRPB) system for enhanced nitrogen (N₂) removal from natural gas at industrially relevant pressures (12–15 bar). A systematic investigation is conducted to evaluate the impact of key operating parameters, including rotational speed, feed gas composition, reflux ratio, and mass flux, on nitrogen removal efficiency, Number of Transfer Units (NTU), and specific power consumption. Increased rotational speed enhanced product purity, while elevating pressure from 12 to 15 bar yielded only a marginal improvement. Nonetheless, lower pressures induced vapor–liquid equilibrium fluctuations, hindering separation. Higher rotational speeds (up to 600 rpm) and mass fluxes improved nitrogen removal, but excessive speeds (&gt;700 rpm) reduced efficiency due to limited mass transfer contact time. Increased N₂ inlet concentration hindered separation and slightly increased specific power. NTU decreased with increasing reflux ratio, plateauing beyond 2.5. CryoRPB exhibited comparable NTU to carbon dioxide (CO₂) absorption in RPBs<!--> <!-->but higher value than simpler systems like alcohol/water separation while remained significantly lower NTU than conventional columns. This study highlights the potential of CryoRPB for challenging natural gas processing applications and underscores the need for future work on technology upscaling and de-risking for commercial deployment.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"362 ","pages":"Article 131930"},"PeriodicalIF":8.1,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084117","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":"A high flux continuous thin UiO-66-NH2 membrane (CTUM) for rapid dyes separation","authors":"Xingxing Wang ,&nbsp;Jian Gao ,&nbsp;Shuaichuan Cui ,&nbsp;Shihan Liu ,&nbsp;Yifan Huang ,&nbsp;Yifan Zhang ,&nbsp;Pengyang Deng","doi":"10.1016/j.seppur.2025.131914","DOIUrl":"10.1016/j.seppur.2025.131914","url":null,"abstract":"<div><div>Separation membranes with high solvent permeation and rejection are attractive for energy conservation in waste solvents separation. Herein, ultra-high flux dye separation membrane was firstly obtained by in situ growing continuous thin MOF membranes on commercial non woven fabrics, which overcome the “trade-off” effect of traditional separation membranes. The continuity of MOF membrane is closely related to the grafting density of maleic anhydride (MAH), and the thickness and surface morphology of continuous thin UiO-66-NH₂ membrane (CTUM) can be controlled by tuning reaction time. The CTUM exhibits a molecule weight cut-off of 950 Da and organic solvents permeation of &gt; 2200 L m⁻²h⁻¹ bar⁻¹ with the rose bengal (RB) rejection of 99.39 %. The selectivity of CTUM depends on the size screening and electrorepulsion effect, and the permeation of CTUM is at least 10 times higher than conventional separation membranes. Meanwhile, the CTUM is durable under mechanical friction and during filtration. Our work represent a reliable way to make durable MOF membranes for ultra-high permeation organic solvent filtration, which lay a foundation for further exploration of high performance separating membranes.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"362 ","pages":"Article 131914"},"PeriodicalIF":8.1,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143076879","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":"Surface and interface engineering of CAU-17/MXene Schottky heterojunction for efficient photocatalytic nitrogen fixation","authors":"Ao Sun ,&nbsp;Mingliang Sun ,&nbsp;Ruyu Zhang ,&nbsp;Hongwei Zhu ,&nbsp;Yan Xing","doi":"10.1016/j.seppur.2025.131939","DOIUrl":"10.1016/j.seppur.2025.131939","url":null,"abstract":"<div><div>Photocatalytic nitrogen fixation has emerged as a pivotal strategy for supplanting the conventional Haber-Bosch process, owing to its low energy consumption and environmental benignity. The strategic interface and surface engineering of composite catalysts offer a potent means to tackle the critical issues such as adsorption/activation of N₂ and separation of photo-generated charge carriers within the photocatalytic nitrogen fixation framework. In the present study, the template effect of MXene has been utilized to enable the in-situ growth of CAU-17 nanoparticles on the surface of MXene, resulting in the formation of a tightly contacted CAU-17/MXene (MXCA) heterojunction. This approach not only facilitates a robust and uniform integration of CAU-17 on the MXene surface, enhancing the separation efficiency of photogenerated carriers, but also introduces oxygen vacancies (OVs) into CAU-17 via competitive coordination. The presence of OVs promotes the adsorption and activation of N₂ molecules, substantially elevating the nitrogen fixation efficiency. Through precise optimization of interface and surface engineering, the optimal 90-MXCA exhibits an excellent photocatalytic N₂ fixation rate of 56.34 µmol g⁻¹ h⁻¹ in pure water, without the need of sacrificial reagents and co-catalysts. The reaction dynamics is also monitored by in situ FT-IR spectroscopy, and an associative distal pathway is identified. This research paves the way for a new paradigm in constructing efficient photocatalysts for ammonia synthesis via the synergistic effect of heterojunction construction and vacancy engineering.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"362 ","pages":"Article 131939"},"PeriodicalIF":8.1,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084116","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":"Single-atom Fe in N-doped hierarchical carbonaceous structure derived from MOF: A pathway to high-performance CDI and MCDI","authors":"Maryam Jafari, Amirshahriar Ghorbanian, Soosan Rowshanzamir, Mohammad Javad Parnian","doi":"10.1016/j.seppur.2025.131941","DOIUrl":"https://doi.org/10.1016/j.seppur.2025.131941","url":null,"abstract":"Capacitive deionization (CDI) is an efficient method for brackish water desalination with low energy consumption. The effectiveness of CDI relies on the optimal engineering of electrode materials to enhance salt removal capacity (SRC). Carbon-based materials, through morphological optimization and heteroatom doping, have shown improved performance. Iron-based carbonaceous structures are promising candidates for enhancing electrode capacitance in CDI and membrane capacitive deionization (MCDI) systems. This study investigated the synthesis of nitrogen and metal co-doped porous carbons via carbonization using a metal-organic framework (MOF). The performance of single-atom iron embedded in nitrogen-doped carbon (SAFe-N-C) was compared to iron nanoparticles integrated into nitrogen-doped carbon (NPFe-N-C) and nitrogen-doped carbon (N-C). Electrochemical evaluations in a 1.0 M NaCl electrolyte demonstrated that SAFe-N-C, as the optimized electrode, benefited from uniform adsorption sites, reduced internal resistance, excellent stability, and a specific capacitance of 117 F g^-1 at 2 mV s^-1. It also achieved SRCs of 36.7 mg g^-1 and 57.8 mg g^-1 from a 500 mg L^-1 NaCl feed solution at 1.2 V during CDI and MCDI tests, respectively. Therefore, atomically dispersed Fe in the hierarchical porous N-doped structure can be a promising alternative for enhancing CDI and MCDI performance. Density functional theory (DFT) calculations indicated that effective Fe–N groups serve as active sites, promoting charge density redistribution and improving ion affinity, leading to substantial SRC. This study provides insights into the critical role of Fe–N sites in carbon-based CDI and MCDI enhancement.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"2021 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084127","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 29 per- and poly-fluoroalkyl substances (PFAS) in water using fenton-assisted electrochemical oxidation process","authors":"Huynh Do Hieu Nhu ,&nbsp;Dao Van Tri ,&nbsp;Tran Le Luu ,&nbsp;Jana Trippel ,&nbsp;Martin Wagner","doi":"10.1016/j.seppur.2025.131908","DOIUrl":"10.1016/j.seppur.2025.131908","url":null,"abstract":"<div><div>Per-polyfluoroalkyl compounds (PFAS) are of widespread concern because they persist in water and resist conventional treatment processes, which may pose risks to human health and the environment. Therefore, this study for the first time focused on investigating the effectiveness of the fenton-assisted electrochemical oxidation process combined with a Pt cathode and two anodes (Ti/BDD and Ti/IrO₂) in treating 29 PFAS compounds (divided into 8 groups: PFCAs, PFOSA, Linear and branched FOSAA, PFSAs, FTSA, Gen X, NaDONA and F-53B) in a simulated wastewater model based on the surface water content evaluated and quantified by liquid chromatography-tandem mass spectrometry (LC/MS-MS). Experimental results showed that the operating parameters that directly affect the treatment process were optimized, with the Ti/BDD anode demonstrating superior degradation efficiency under optimal operating conditions: [NaCl] 2 g/L, [Fe₃O₄] 0.5 mM, pH 2.5–3, applied current density 5 mA/cm², stirring speed 200 rpm, electrolysis time 120 min removed 86.1–100 % PFAS per eight groups in water with an energy consumption of 9.0 kWh/m³. Comparatively, optimal operating conditions for the Ti/IrO₂ anode were higher than Ti/BDD: [NaCl] 2 g/L, [Fe₃O₄] 1 mM, applied current density 15 mA/cm², pH 3, stirring speed 200 rpm, electrolysis time 180 min, removing 54.5–98.1 % PFAS per eight groups with an energy consumption of 40.5 kWh/m³, respectively. Hydroxyl radicals (OH^•) generated during the process effectively degraded both long- and short-chain at 29 PFAS compounds, and the long-chain PFCAs and PFSAs groups, along with linear and branched PFAA isomers, were found to be more stable in degradation than the other groups. The hydrolysis mechanism is the proposed pathway for removing typical PFBS and intermediate compounds. This study suggested fenton-assisted electrochemical oxidation process with the Ti/BDD anode as a feasible method to reduce PFAS pollution in surface water, providing a sustainable and effective alternative to conventional treatment methods.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"362 ","pages":"Article 131908"},"PeriodicalIF":8.1,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143072609","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":"Spontaneous and rapid self-healing ionogels membrane based on dual dynamic crosslinking networks strategy for high-efficiency CO2 separation","authors":"Yunfei Yu ,&nbsp;Xue Yang ,&nbsp;Jie Chen ,&nbsp;Chenchen Zhang ,&nbsp;Wei Lin ,&nbsp;Jianqiang Meng","doi":"10.1016/j.seppur.2025.131916","DOIUrl":"10.1016/j.seppur.2025.131916","url":null,"abstract":"<div><div>Ionogels membranes have excellent solubility selectivity for CO₂ and show great potential for CO₂ separation and capture. However, the poor mechanical properties, susceptibility to damage, and short service life of ionogels membranes have limited their applications. Herein, we employed a novel strategy involving the construction of dynamic dual self-healing networks based on a double network (DN) structure to enhance the self-healing efficiency and mechanical performance of ionogels membranes. The first dynamic chemical cross-linking supramolecular network was formed based on imine bonds. The second dynamic physical cross-linking network was established between the UPy units, which served as a sacrificial network to dissipate stresses and generally enhance the mechanical properties of the DN membranes. When the free ionic liquids (ILs, [EMIM]DCA) were added at 60 wt%, the CO₂ permeability (<em>P_CO2</em>) was 310 Barrer, and the ideal CO₂/N₂ selectivity (<em>α</em> (CO₂/N₂)) was 62, approaching the 2019 Robeson upper bound. Due to the synergistic effect of the dual self-healing networks, the self-healing efficiency of DN membrane was greatly improved. The DN (UPy 5 wt%) membrane exhibited a high stress healing efficiency (<em>σHE</em>) of 95% and a high strain healing efficiency (<em>εHE</em>) of 125% after 1 h of self-healing at room temperature. These values significantly exceeded the self-healing efficiency observed with single self-healing network and approached the upper bound for tensile strength as a function of self-healing time. Additionally, the ionogels membrane exhibited excellent functional recovery and reproducibility. The ionogels membrane underwent three puncture/healing (1 h) experiments, achieving <em>P_CO2</em> self-healing efficiency of 96.8%, 98.1%, and 97.3%, and <em>α</em>(CO₂/N₂) self-healing efficiency of 89.7%, 87.4%, and 90.3%, respectively. Therefore, the construction of dual self-healing networks is an effective strategy to prepare high performance self-healing gas separation membranes.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"362 ","pages":"Article 131916"},"PeriodicalIF":8.1,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143076944","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":"Porous Si-doped flower-like BiOCl with hydrophobic interfaces for efficient CO2-to-formate conversion","authors":"Chao Zhang ,&nbsp;Lulu Jiang ,&nbsp;Delu Zhang ,&nbsp;Haipeng Wang ,&nbsp;Shujun Ming ,&nbsp;Yongsheng Gao ,&nbsp;Zhiguo Lv ,&nbsp;Fujin Sun","doi":"10.1016/j.seppur.2025.131907","DOIUrl":"10.1016/j.seppur.2025.131907","url":null,"abstract":"<div><div>Bismuth-based materials have been identified as potential catalysts for electrochemical CO₂ reduction reactions (CO₂RR), however, there remain challenges in terms of selectivity and stability. In this study, we report a one-step etching hydrothermal strategy to synthesize a porous Si-doped hydrophobic flower-like BiOCl catalyst (PoSi-BiOCl) for highly selective CO₂RR to formate (HCOO^–). The doped Si increases the hydrophobicity and porosity of BiOCl, improving CO₂ adsorption and mass transport. The PoSi-BiOCl exhibits impressive CO₂-to-formate selectivity (96%). Due to the hydrophobicity of PoSi-BiOCl, the side reaction of hydrogen evolution reaction (HER) is inhibited. Besides, after 24 h of stability testing, PoSi-BiOCl maintained a high FE_HCOO^- of about 85%, demonstrating its excellent catalytic stability. In situ Raman spectroscopy and DFT calculations show that Si doping shifts the <em>p</em>-band center (ɛ_p) and significantly reduces the energy barrier of forming *OCHO intermediates, which is a key step in the CO₂-to-formate transformation pathway.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"362 ","pages":"Article 131907"},"PeriodicalIF":8.1,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143072333","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":"Molybdate-loaded magnetic biochar activates persulfate for efficient degradation of sulfamethazine","authors":"Linan Xu, Yifu Peng, Zhanqiang Fang","doi":"10.1016/j.seppur.2025.131911","DOIUrl":"https://doi.org/10.1016/j.seppur.2025.131911","url":null,"abstract":"Molybdate-doped magnetic biochar (MoMBC) was synthesized using sawdust as the raw material through impregnation and pyrolysis. MoMBC was utilized to activate persulfate (PS) for the degradation of sulfamethazine (SMT). The results demonstrated that at a MoMBC dosage of 0.1 g/L and PS concentration of 2 mM, the MoMBC/PS system exhibited a stabilization of SMT degradation efficiency at a level exceeding 98.1 % within 120 min. This was accompanied by a reaction rate constant was 31 times greater than observed in the MBC/PS system. Characterization analysis of MoMBC revealed that molybdate loading facilitated the redox cycling of Fe³⁺/Fe²⁺ and Mo⁶⁺/Mo⁴⁺, thereby enhancing the activation efficiency of PS and accelerating SMT degradation. Through free radical quenching experiments and electron paramagnetic resonance analysis, it was found that the contribution rates of superoxide radicals and hydroxyl radicals were 44.47 % and 33.09 %, respectively, which were the main free radicals promoting the degradation of SMT. Under the coexistence of natural organic matter and anions, the influence of MoMBC/PS system is insignificant. Its powerful broad-spectrum features make it appropriate for the degradation of diverse antibiotics, with a mineralisation rate of 59.9 %. The degradation of SMT undergoes processes such as oxidation, hydroxylation, and removal of SO₂. This study provides new technical support for the practical implementation of magnetic biochar in the remediation of water pollution.","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"31 1","pages":""},"PeriodicalIF":8.6,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143072611","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 artificial neural networks and structure–activity relationship for constructing viscosity correlations of amine aqueous solutions based on chemical structure information","authors":"Wang Tang ,&nbsp;Tianxiong Liu ,&nbsp;Hongxia Gao,&nbsp;Shaofei Wang,&nbsp;Min Zhou,&nbsp;Ningbo Yu,&nbsp;Zhiwu Liang","doi":"10.1016/j.seppur.2025.131912","DOIUrl":"10.1016/j.seppur.2025.131912","url":null,"abstract":"<div><div>In this study, the viscosity of 12 alkanolamine or diamine aqueous solutions was measured at atmospheric pressure, with amine mass fractions ranging from 15 % to 100 % and temperatures ranging from 293.15 K to 353.15 K. An empirical model was used to correlate the viscosity experimental results of the 12 alkanolamine or diamine systems. Building upon the empirical model, the influence of chemical structure on viscosity was further explored, and two artificial neural networks with different data partitioning schemes, namely R-ANN and C-ANN, were developed. The mean absolute error (MAE) of the R-ANN and C-ANN models were 0.42 and 0.53, respectively. The evaluation results demonstrated that the R-ANN model effectively predicted the viscosity of the 12 alkanolamine and diamine systems. Additionally, the C-ANN model showed reliable predictive performance on a test set consisting of new amines—those not included in the training set. Finally, the structure–activity relationship between amine structure and viscosity was analyzed by calculating the electrostatic potential (ESP) of amine molecules. This research provides an effective theoretical framework and computational approach for predicting and understanding the viscosity of amine aqueous solutions.</div></div>","PeriodicalId":427,"journal":{"name":"Separation and Purification Technology","volume":"362 ","pages":"Article 131912"},"PeriodicalIF":8.1,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143072612","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}