Chemical Engineering Journal Advances最新文献

{"title":"Hydroxyl and pyrrole functionalized polymeric frameworks for efficient aqueous and gaseous iodine sequestration","authors":"Moulidharan Ramamoorthy ,&nbsp;Koushiki Bhattacharjee ,&nbsp;Himan Dev Singh ,&nbsp;Pravesh Singh Bisht ,&nbsp;Debanjan Chakraborty ,&nbsp;Shyamapada Nandi","doi":"10.1016/j.ceja.2025.101023","DOIUrl":"10.1016/j.ceja.2025.101023","url":null,"abstract":"<div><div>Radioactive iodine, including I¹²⁹ and I¹³¹, poses significant environmental and health risks due to its high volatility, long half-life, and water solubility, making the effective capture and storage of these substances crucial for environmental remediation and nuclear waste management. In this context, adsorption-based capture of radioiodine by porous solids has gained considerable attention. Here, we present three chemically robust pyrrole-based porous organic polymers, IISERP-POF15, IISERP-POF16, and IISERP-POF17, for efficient gaseous and solution-phase (aqueous and non-aqueous) iodine sequestration. IISERP-POF17 exhibits a high iodine uptake of 3.07 <em>g</em>/g in the gas phase at 70 °C, as well as effective performance in a non-aqueous medium (hexane), with an uptake of 0.47 <em>g</em>/g at room temperature. In aqueous solution, IISERP-POF15 shows the highest iodine uptake, reaching 2.20 <em>g</em>/g at room temperature. These polymers hold high chemical stability and can be readily recycled with intact iodine capacity. X-ray photoelectron spectroscopy (XPS) analysis evidenced the occurrence of I₂ and polyiodides (I₃^–/I₅^–) in the post iodine-adsorbed polymers. Infrared spectroscopic investigation of the polymers upon iodine adsorption indicated a strong interaction of I₂ with -OH and pyrrolic -NH of the framework. The observed I₂-framework interactions were further backed by molecular simulation using Density Functional Theory (DFT) calculations.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101023"},"PeriodicalIF":7.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Experimental modeling and optimization of CO2 absorption into MDEA-sulfolane solution using RSM and ANNs","authors":"Abolfazl Shokri,&nbsp;Faezeh Mirshafiee,&nbsp;Ahad Ghaemi","doi":"10.1016/j.ceja.2025.101009","DOIUrl":"10.1016/j.ceja.2025.101009","url":null,"abstract":"<div><div>This research studies the modelling and optimization of CO₂ absorption in a mixed MDEA-Sulfolane solvent system using response surface methodology (RSM), multilayer perceptron (MLP), and radial basis function (RBF) approaches. Experimental data from a stirred reactor were collected with five input parameters, including temperature in the range of 20–70 °C, pressure in the range of 2–8 bar, sulfolane concentration in the range of 10–20 mol/L, MDEA concentration in the range of 10–20 mol/L, and time in the range of 60–3600 s. Two main output responses, CO₂ loading in the range of 0.0094–0.3627 and mass transfer flux of 0.00023–0.00782 mol/m².s, were examined. The modeling results showed that the MLP network provided the highest predictive accuracy, with K-fold-validated R² values of 0.9999 for CO₂ loading and 0.9863 for mass-transfer flux, outperforming both the RBF model (R² ≈ 0.9993–0.9885) and RSM (R² ≈ 0.9800–0.9563). The optimal MLP structure used 55 neurons, selected through systematic evaluation to prevent overfitting. Optimization using RSM and ANN–GA produced closely matching results. For the flux-optimum, both methods identified the same operating point (24.77 °C, 7.995 bar, 19.98 mol L⁻¹ sulfolane, 19.998 mol L⁻¹ MDEA, 60.01 s), with predicted fluxes of 0.0090 (RSM) and 0.0089 mol m⁻² s⁻¹ (MLP–GA). For the loading-optimum (at 20 °C, 8 bar, 10 mol L⁻¹ sulfolane, 13.30 mol L⁻¹ MDEA, 3552 s), RSM predicted 0.4510, while MLP–GA predicted 0.4301, corresponding to a small deviation of 4.63 %. Overall, the strong consistency between RSM and ANN–GA confirms the reliability of the ANN framework for predicting and optimizing CO₂ absorption performance in hybrid solvent systems.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101009"},"PeriodicalIF":7.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tailoring Mg-0.5B and Mg-0.5B-5Sn alloys for hallux valgus implants: Cytocompatibility, inflammatory response, antimicrobial, and mechanical durability","authors":"Prawin Babu L,&nbsp;Radha R","doi":"10.1016/j.ceja.2025.101022","DOIUrl":"10.1016/j.ceja.2025.101022","url":null,"abstract":"<div><div>Hallux valgus (HV) is a common orthopedic condition characterized by a deformity of the first toe, and it is more prevalent in women. It results from progressive valgus subluxation of the metatarsophalangeal (MTP) joint and varus deviation of the first metatarsal, leading to pain, discomfort, and increased fracture risk. Surgical correction often requires implants with optimal mechanical, corrosion, and biological properties. This study evaluates two novel magnesium alloys, Mg-0.5B and Mg-0.5B-5Sn, for HV treatment. Boron enhances strength and bioactivity, whereas tin improves corrosion resistance and Antimicrobial properties. Biological tests revealed moderate cytotoxicity in Mg-0.5B, while Mg-0.5B-5Sn showed concentration-dependent cytotoxicity typical of Mg alloys, with acceptable viability at physiologically relevant extract levels but improved Antimicrobial activity. Anti-inflammatory evaluation showed that Mg-0.5B strongly suppressed TNF-α expression, while Mg-0.5B-5Sn additionally inhibited COX-II and LOX enzymatic pathways. Corrosion analysis revealed rapid degradation of Mg-0.5B, while Mg-0.5B-5Sn formed a protective surface layer, enhancing durability. Corrosion behavior was quantified using potentiodynamic polarization, Potentiodynamic analysis revealed an extremely high corrosion rate for Mg-0.5B (468.1 mm/year), whereas Mg-0.5B-5Sn showed a drastically reduced rate of 7.47 mm/year due to Sn-induced suppression of anodic dissolution and stabilization of the surface film. Mechanical tests showed higher compressive strength for Mg-0.5B, but immersion tests revealed increased strain in Mg-0.5B-5Sn over 14 days as a result of material softening. Wear testing under walking and jogging conditions demonstrated superior wear resistance in Mg-0.5B-5Sn, attributed to its refined microstructure and intermetallic phases. Overall, Mg-0.5B-5Sn shows strong potential as a biodegradable orthopedic implant material for HV correction, effectively balancing biocompatibility, mechanical integrity, and corrosion and wear resistance.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101022"},"PeriodicalIF":7.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of adsorption capacity for CO2/N2 mixture via RSM and machine learning","authors":"Mohsen Fathi Aghbolagh Mustafa Khan,&nbsp;Ahad Ghaemi","doi":"10.1016/j.ceja.2025.100957","DOIUrl":"10.1016/j.ceja.2025.100957","url":null,"abstract":"<div><div>This study models the equilibrium adsorption capacity of CO₂ and N₂ on various solid adsorbents using response surface methodology (RSM) and machine learning (ML) approaches, including multilayer perceptron (MLP), radial basis function (RBF), and support vector machine (SVM) networks. The input parameters included textural properties (specific surface area, pore volume, and nominal pore diameter), process conditions (temperature and pressure), and adsorbate characteristics such as molecular polarizability and FTIR peak position. The models were developed and optimized to predict adsorption capacity under equilibrium conditions. Among the tested models, the RBF network achieved the highest accuracy (R² = 0.9999), followed by MLP (R² = 0.9996) and SVM (R² = 0.9980), while the RSM model showed slightly lower precision (R² = 0.9884). Sensitivity analysis identified polarizability as the most significant positive factor and FTIR peak intensity as the most influential negative contributor, emphasizing the key role of electrostatic interactions and surface functionality in gas–solid systems. The integration of surface chemistry descriptors and molecular properties into ML-based frameworks provides a powerful and efficient strategy for predicting adsorption behavior and guiding the design of advanced adsorbents for CO₂ capture and separation processes.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 100957"},"PeriodicalIF":7.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145594692","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Representative secondary PET micro and nanoplastics via ethylene glycol fragmentation (EGF): Physicochemical and immuno-toxicological properties","authors":"Mohammed Monsoor Shaik ,&nbsp;Diletta Ami ,&nbsp;Alessio Romerio ,&nbsp;Calogero Gagliano ,&nbsp;Charys Palmer ,&nbsp;Zaineh Aladailleh ,&nbsp;Elijah Mitchell ,&nbsp;Janet Lopez Chavez ,&nbsp;Asma Zain ,&nbsp;Stefano Farris ,&nbsp;Mattia Gaboardi ,&nbsp;Antonino Natalello ,&nbsp;Grisha Pirianov ,&nbsp;Francesco Peri","doi":"10.1016/j.ceja.2026.101053","DOIUrl":"10.1016/j.ceja.2026.101053","url":null,"abstract":"<div><div>Polyethylene terephthalate (PET) micro and nanoplastics (MNPs) are widely dispersed pollutants with significant environmental and health implications. Current preparation methods of representative secondary PET MNPs are limited. In this study, we developed a scalable, standardized ethylene glycol fragmentation (EGF)-based method to generate PET MNPs from three distinct plastic sources (commercial pellets, bottle-grade, and film-grade). PET samples were depolymerized using ethylene glycol and sodium carbonate under controlled thermal conditions. Two fractions (Ea and Eb) were collected and analyzed, fraction Ea consisted of covalently fragmented BHET-oligomer-based nanoplastics (∼200–375 nm), while fraction Eb comprised non-covalent BHET-based larger microplastic aggregates (∼1.2–1.9 µm). EGF method turned out to be more efficient than published trifluoroacetic acid (TFA) method giving mainly BHET-oligomer-based nanoplastics with higher yields and improved MNPs size control. MNPs generated by EGF showed a size range between 200 and 375 nm with good colloidal stability. In vitro assays showed that both type (covalent and non-covalent) of PET nanoplastics reduced THP-1 macrophage viability in a dose-dependent manner which was associated with IL-1β release, and triggered an M1-polarizing cytokine profile, thus indicating potential toxicity and proinflammatory activity. Our EGF-based synthesis platform enables controlled production of PET MNPs with source-dependent characteristics and biologically relevant behavior. These standardized MNPs and the THP-1 macrophages biosensor model provide useful tools for environmental toxicology research.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101053"},"PeriodicalIF":7.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073553","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sustainable friedel-crafts acylation of furan using nanocrystalline ZSM-5: A green catalytic approach","authors":"Khadijah H. Alharbi","doi":"10.1016/j.ceja.2025.100970","DOIUrl":"10.1016/j.ceja.2025.100970","url":null,"abstract":"<div><div>The Friedel-Crafts acylation of furan with acetic anhydride to produce 2-acylfuran is of significant industrial importance to produce key intermediates. However, the current process usually uses liquid acids that are extremely polluting as catalysts, which is problematic for the environment. As industries continue to seek environmentally friendly and cost-effective alternatives, these green catalysts heterogeneous catalysts in a solventless green process offers a sustainable approach to chemical synthetic processes hold great promise for a wide range of applications. In the present study, nanocrystalline ZSM-5 and rare-earth ion-exchanged nanocrystalline ZSM-5 were used as heterogeneous catalysts in the liquid-phase acylation of furan with acetic anhydride. The synthesized catalysts were characterized using advanced techniques, including DLS, XRD, and SEM. Under optimized conditions, the catalyst demonstrated significantly superior performance compared to previous methods, achieving 94.1 % conversion with 100 % selectivity towards the desired product, 2-acylfuran.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 100970"},"PeriodicalIF":7.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145623442","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Leveraging molecular simulations and machine learning to assess CO2, O2, and N2 adsorption and separation performances of diverse MOF databases","authors":"Hasan Can Gulbalkan,&nbsp;Seda Keskin","doi":"10.1016/j.ceja.2025.100984","DOIUrl":"10.1016/j.ceja.2025.100984","url":null,"abstract":"<div><div>We integrated molecular simulations and machine learning (ML) to comprehensively explore the gas adsorption and separation performances of both synthesized and hypothetical metal-organic frameworks (MOFs) available in five different MOF databases. Following the generation of CO₂, O₂, and N₂ adsorption data for synthesized MOFs at varying pressures through grand canonical Monte Carlo (GCMC) simulations, we developed ML models that can swiftly and accurately predict the gas adsorption properties of any MOF based on its structural, chemical, and energetic characteristics. These ML models were then transferred to four distinct hypothetical MOF databases consisting of nearly 130,000 structures to assess their CO₂, O₂, and N₂ adsorption properties in addition to CO₂/N₂ and O₂/N₂ separation performances as a very efficient alternative to computationally time and resource demanding molecular simulations. We identified the top-performing materials from each database to uncover their structural, chemical, and topological properties leading to high selectivities and concluded that synthesized MOFs with narrow pores, lanthanide metals, and linkers featuring oxalate, pyridine dicarboxylate, and fumarate offer the highest CO₂/N₂ selectivities. Our work presents the most extensive dataset produced for CO₂, O₂, and N₂ gas adsorption in MOFs, composed of ∼3.9 million data points for materials’ structural, chemical, and energetic features, gas adsorption properties, and selectivities computed at different pressures to accelerate the materials design and discovery for CO₂, O₂, and N₂ adsorption and separation.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 100984"},"PeriodicalIF":7.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145747813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sintering-resistant hollow porous CuO microspheres with multi-shelled architectures for durable renewable heat-driven thermochemical energy storage","authors":"Hassan Agalit ,&nbsp;Samuel D. Widijatmoko ,&nbsp;Gary A. Leeke ,&nbsp;Yulong Ding ,&nbsp;Yongliang Li","doi":"10.1016/j.ceja.2026.101034","DOIUrl":"10.1016/j.ceja.2026.101034","url":null,"abstract":"<div><div>Multi-shelled hollow (MSH) CuO microspheres were synthesised via a one-pot hydrothermal method to overcome severe sintering that limits the performance of conventional CuO during repeated high-temperature Redox cycling. The MSH microspheres were benchmarked against chemically doped layered double hydroxide (LDH) CuO and physically doped porous granules (PG) with Yttria-stabilised Zirconia (YSZ) CuO, which exhibit good cyclic stability but suffer from significantly reduced energy density due to high dopant contents. All MSH-CuO formulations successfully developed targeted multi-shell architecture, with the best formulation MSH-CuO (F1) achieving the best performance. It delivered the highest measured reaction enthalpy (750.3 J g^-1) and an estimated energy density of 805.18 J g^-1, approximately 71% higher than doped benchmark materials and close to the theoretical limit (810.8 J g^-1). Excellent stability was confirmed through 10 consecutive cyclic redox tests, while SEM/EDS revealed highly porous post-cycled morphologies with no evidence of sintering. These findings demonstrate that the multi-shelled CuO architecture provides high energy density and rapid kinetics, achieving up to 112% higher reduction rates and up to 414% higher oxidation rates relative to the benchmark CuO materials. Most importantly, MSH architecture exhibits intrinsic sintering resistance, offering a promising dopant-free pathway for next-generation thermochemical energy-storage and chemical-looping systems.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101034"},"PeriodicalIF":7.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A microbial electrochemical system enables the energy-efficient conversion of cyanobacterial biomass into plant fertilizer for Mars","authors":"Tiago P Ramalho ,&nbsp;Gaëlle Marchal ,&nbsp;Óscar Santiago ,&nbsp;Sven Kerzenmacher ,&nbsp;Cyprien Verseux ,&nbsp;Guillaume Pillot","doi":"10.1016/j.ceja.2025.100996","DOIUrl":"10.1016/j.ceja.2025.100996","url":null,"abstract":"<div><div>Producing significant amounts of food on Mars will be challenging, as crops could not grow solely on local resources. One promising solution lies in first cultivating cyanobacteria using Martian regolith, sunlight, water, and atmospheric gases (N₂, CO₂), and in then using the cyanobacterial biomass as plant feedstock. However, this biomass must first be mineralized—removing organic carbon, releasing ammonium, and solubilizing nutrients—to be utilized efficiently by plants. Microbial electrochemical systems can enable this conversion while providing a broad range of products and services. This study explores how a microbial anode can transform cyanobacterial biomass into more plant-accessible nutrients and recover its chemical energy content as hydrogen. Three fermentative inocula were tested in minimal media by themselves and in combination with <em>Geobacter sulfurreducens</em>, a known exoelectrogen. Current was produced exclusively when <em>G. sulfurreducens</em> was co-inoculated, resulting in an average chemical oxygen demand (COD) removal of 38 %, a coulombic efficiency of 68 %, and a maximum current density of 3.7 mA per g of stainless-steel wool anode. The system was then successfully operated using leachate from a Martian regolith simulant as the primary mineral nutrient source, yielding 37 % COD removal, 49 % coulombic efficiency, and 3.5 mA g⁻¹ maximum current density. The bacterial and archaeal communities of the planktonic phase and anode were characterized to further understand the microbial composition of bioelectrochemical systems. The cell’s anolyte appeared suitable for hydroponic cultivation, highlighting the potential of bioelectrochemical systems to support food production and resource recycling in a Martian settlement.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 100996"},"PeriodicalIF":7.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938912","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Removal of H2PO4– in water by forestry waste biochar: Preparation, characteristics, adsorption performance, and mechanism","authors":"Anxiang Huang,&nbsp;Zhu Liu,&nbsp;Shoulu Yang,&nbsp;Xiang Lu,&nbsp;Shasha Wang,&nbsp;Zhongwei Wang,&nbsp;Nengying Wu","doi":"10.1016/j.ceja.2025.100973","DOIUrl":"10.1016/j.ceja.2025.100973","url":null,"abstract":"<div><div>This study explored the application of biochar produced from the forestry residues <em>Camellia oleifera (C. oleifera)</em> shell (COS), chestnut shell (CNS), bamboo shoot shell (BBS), and walnut shell (WNS) to elucidate the dominant mechanism by which the combined effects of different lignocellulose structures and pyrolysis temperatures regulate the adsorption of H₂PO₄^– by biochar. The forestry waste was carbonized at different pyrolysis temperatures to obtain biochars, after which the biochar properties, H₂PO₄^– adsorption behavior, and underlying mechanisms were investigated. The results revealed that pyrolysis temperature was a key factor in enhancing the adsorption capacity of biochar for H₂PO₄^–, as it promotes microporosity and expands the formation of specific surface area (S_BET), micropore surface Area (S_t-plot), and pore volume (V_BJH), which in turn provides more active sites for adsorption. The adsorption experiments revealed that CNS has the best adsorption capacity for H₂PO₄^– (Q_m = 117 mg g^–1) because of its unique radioactive needle-like fiber bundle structure, which forms a rich pore structure at 800 °C. Quantitative contributions analysis revealed that functional group complexation (Q_com) constituted the dominant adsorption mechanism, with contributing 48 – 64 %, as evidenced by a computed free energy of – 135.48 kcal mol⁻¹. In addtion, the adsorption of H₂PO₄⁻ by CNS biochar exhibits good reusability and anti-interference capabilities. These findings demonstrate that CNS biochar has a great potential for removing phosphate from water.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 100973"},"PeriodicalIF":7.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}