Adsorption最新文献

{"title":"Developments of composite adsorbents by incorporation of MOFs for separation of methane: by GCMC simulations and experiments","authors":"Shanshan Li,&nbsp;Qingrong Zheng","doi":"10.1007/s10450-025-00642-3","DOIUrl":"10.1007/s10450-025-00642-3","url":null,"abstract":"<div><p>Efficiently recovering the natural gas from the gas mixture is crucial to its application. Grand Canonical Monte Carlo (GCMC) molecular simulations were performed to screen MOFs from 100 samples covering four typical kinds of MOFs based on the selective performance of methane and carbon dioxide mixtures at 298 K and 0–0.1 MPa. Incorporation was introduced to ameliorate the performances of the selected MOFs, and the effect of mixing carbon molecular sieve (CMS), activated carbon and graphene oxide (GO) on the structure, the adsorption selectivity as well as the adsorbent performance score (APS) for carbon dioxide was also evaluated. Researches were conducted on the samples by performing the structural characterization, microscopic morphology observation and the measurements of the adsorption isotherms of methane and carbon dioxide. It shows that, at 298 K under pressure 0.1 MPa, the adsorption selectivity coefficient for the gas mixture contained the equal molar volume fraction of methane and carbon dioxide on Ni-MOF-74 is about 60 and the APS is larger than 500; within the range of incorporated amount 1–15 wt%, only the sample prepared by 5 wt% GO respectively obtained 15.4% and 47.9% increment in the adsorption selectivity coefficient and the adsorption capacity of CO₂. Results also reveal that, during three adsorption and desorption cycles, the fluctuation amplitude of the adsorption capacity, adsorption selectivity coefficient, APS on the sample can all be kept within 0.03%, and the largest adsorption selectivity coefficient is about 25.65 with 4.1% increment in APS within the molar volume fraction range of methane 50–90%. It suggests that the composite of Ni-MOF-74 incorporated by 5 wt% GO is suitable for separating the natural gas from the mixture of methane and carbon dioxide.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 6","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145166760","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative analysis of nanomaterial adsorbents for nutrient recovery: unveiling the potential of silica-assisted nano hemicellulose in wastewater management","authors":"Renju,&nbsp;Rajesh Singh","doi":"10.1007/s10450-025-00637-0","DOIUrl":"10.1007/s10450-025-00637-0","url":null,"abstract":"<div><p>Nutrient recovery from sewage wastewater through nanomaterial adsorbents is a promising method for reducing environmental pollution and recycling essential nutrients. In this study, various adsorbents, specifically Chitosan (CHI), Ceramic-based Zeolite nanomaterial (N-Zs), and Silica-assisted Nano hemicellulose (Si-NHC), were prepared to analyze their capacity to adsorb NH₄⁺ and PO₄³⁻ from synthetic and real wastewater sources. The study revealed a notable adsorption capacity of 84.734 ± 10.165 mg/g and 0.192 ± 0.024 mg/g for NH₄⁺ and PO₄³⁻, respectively, by Si-NHC. The hydrothermally synthesized N-Zs show poor efficiency compared to other adsorbents. Optimal conditions for NH₄⁺ adsorption were identified at a pH of 5.5, utilizing 0.1 g of Si-NHC per 50 ml of solution, with a contact time of 2.5 h. An economic analysis of NH₄⁺ recovery from treated wastewater indicated advantages due to its lower cost and higher adsorption capacity. The higher adsorption capacity and degradable nature position Si-NHC as a viable candidate for use as a fertilizer. The detailed adsorption and desorption cycle durability and efficiency of the Si-NHC were also evaluated.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 6","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145166761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction: experimental demonstration of humid post-combustion CO2 capture by vacuum swing adsorption using CALF-20","authors":"Tai T. T. Nguyen,&nbsp;George K. H. Shimizu,&nbsp;Arvind Rajendran","doi":"10.1007/s10450-025-00628-1","DOIUrl":"10.1007/s10450-025-00628-1","url":null,"abstract":"","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145164917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular insights into preferential N₂ adsorption on zeolite 13X via total neutron scattering","authors":"Marta Falkowska,&nbsp;Luke Roebuck,&nbsp;Daniel Bowron","doi":"10.1007/s10450-025-00638-z","DOIUrl":"10.1007/s10450-025-00638-z","url":null,"abstract":"<div><p>Total neutron scattering (TNS) has emerged as a powerful experimental method for characterising structural properties of liquids confined at nanoscale in porous materials, yet its application to studying room-temperature gas adsorption remains relatively unexplored. This work investigates the feasibility and sensitivity of TNS in detecting subtle structural responses for adsorption of gases including N₂, O₂, simulated Air, and CO₂ in zeolite 13X, under conditions typical of pressure swing adsorption (1 and 5 bar) utilised in medical oxygen concentrators (MOCs). Experimental results illustrate the capability of TNS to detect minor structural alterations induced by gas adsorption, thereby validating its potential as an insightful analytical method. Although the observed changes confirm known molecular interactions and adsorption behaviours, the precise molecular-level interpretation and mechanistic insights will predominantly derive from subsequent advanced molecular simulations. Future research will prioritise the development of quantitative TNS approaches through refined modelling protocols, aiming to accurately describe the spatial distribution of adsorbed gas molecules within zeolite frameworks. Thus, this work positions TNS not merely as a supportive technique but as a critical approach for deepening our fundamental understanding of molecular interactions of fluids confined in porous systems.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-025-00638-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145164916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Corrosion inhibition of mild steel by expired clindamycin in optimised HCl concentrations via central composite design-response surface methodology","authors":"Abuchi Elebo,&nbsp;Sani Uba,&nbsp;Patricia Adamma Ekwumemgbo,&nbsp;Victor Olatunji Ajibola","doi":"10.1007/s10450-025-00640-5","DOIUrl":"10.1007/s10450-025-00640-5","url":null,"abstract":"<div><p>Findings tailored towards adsorption and corrosion inhibition of metal addressed limitations in describing the interaction between the inhibitor and metal surface, utilising kinetics, thermodynamics, and isotherm models through a central composite design-response surface methodology (CCD-RSM). Expired clindamycin (ECLI) was employed as an anti-corrosion agent to stampede the corrosion of mild steel in the oil and gas industries in optimised HCl concentration using the weight loss method. From the analysis of variance (ANOVA), the significance of process parameters was ascertained. The regression coefficients (R²) of the developed models and validation experiment conducted at optimum conditions insinuate that the predicted values are in excellent agreement with the experimental values. The change in enthalpy was positive and less than the 100 kJ/mol threshold, which indicates an endothermic reaction. The experimental data fit the Langmuir, Freundlich, Temkin, El-Awady, Frumkin, and Flory-Huggins isotherms, but the Langmuir isotherm best expresses the adsorption mechanism. The corrosion rate constant was evaluated using zero-order, first-order, and second-order kinetics; hence, the corrosion process followed zero-order kinetics. The adsorption of ECLI on mild steel in varying HCl media is plausible, spontaneous, and exhibits both physisorption and chemisorption according to Gibbs’ free energy threshold.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145163670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluation of adsorption properties and structural characterization of the husk and mesocarp of Caryocar brasiliense for application as an adsorbent","authors":"Renata N. Vilas-Bôas,&nbsp;Vitor C. Brito,&nbsp;Luiz G. dos S. Salazar,&nbsp;Gabrielle W. Luz,&nbsp;Francisco E. A. Catunda-Junior,&nbsp;Marisa F. Mendes","doi":"10.1007/s10450-025-00639-y","DOIUrl":"10.1007/s10450-025-00639-y","url":null,"abstract":"<div><p>The pequi (<i>Caryocar brasiliense</i>) stands out for having significant economic value through its fruits in cooking. However, despite the numerous applications of the pequi, few studies are available on the socioeconomic importance of using the peel, fruit, and almond. Therefore, finding applications for its residues is essential; to this end, developing research that uses bioadsorbents– adsorbent materials of natural origin– becomes relevant for the scientific community. In this perspective, this study aimed to evaluate the adsorption properties and characterize the peel and mesocarp of the pequi as a potential application for the treatment of effluents from the textile industry. The fruit was separated into peel and fruit, placed in an oven, and ground in a mill after drying. After the grinding process, the material obtained had its particles classified into different particle sizes. The particle size of the peel chosen for the study was 45 mesh. After selecting the particle size, part of the material was calcined in a muffle furnace at 400 °C for 4 h. Subsequently, the bioadsorbents were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), surface area by the BET method, and scanning electron microscopy (SEM). The XRD analysis showed that the bioadsorbents presented predominantly amorphous structures. In the textural properties, the bioadsorbents were presented as a porous material, and it was also possible to observe that in the thermally calcined mesocarp material, this offered a larger surface area. Meanwhile, the morphological analysis showed that a more significant and deeper number of cracks and pores appeared in the thermally calcined bioadsorbents compared to the in natura bioadsorbents. Thermally calcined bioadsorbents achieved excellent adsorption capacity, which provided 90% dye removal efficiency in just 5 min, for both the bark bioadsorbent and the mesocarp bioadsorbent, proving to be a good system for dye removal in aqueous media. Therefore, replacing biomass as an adsorbent is feasible, since, compared to other synthetic materials, they have a reduced cost and are abundant.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145170530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Predictive numerical modelling of a complete pressure swing adsorption plant","authors":"Abhijit Dhamanekar,&nbsp;Ritwik Das,&nbsp;Santosh Ansumali,&nbsp;Raviraju Vysyaraju,&nbsp;Arvind Rajendran,&nbsp;S. V. Diwakar","doi":"10.1007/s10450-025-00635-2","DOIUrl":"10.1007/s10450-025-00635-2","url":null,"abstract":"<div><p>The current work presents a robust, generalizable, fully predictive computational fluid dynamics model of a complete pressure swing adsorption (PSA) system. Using an axisymmetric representation, the model accurately mimics all the key components of a gas separation plant, including adsorbent columns, air reservoir, product buffer tank, pressure regulator, solenoidal valves, and mesh filters. The cyclic operation of the PSA plants, typically controlled by solenoid valves, is emulated by dynamically modifying the boundary conditions of different subdomains. The integrated approach closely replicates the purity and pressure transients of an in-house PSA pilot setup, producing high-purity oxygen from the air. The advantage of the model lies in its ability not only to simulate column-level phenomena but also to integrate the dynamics of the entire plant in a fully predictive manner. The ability of the model to optimize the system-level performance to produce high-purity oxygen is also demonstrated.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.1,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145170578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Carbon dioxide capture in NaOH impregnated activated carbon: simulation and experimental studies","authors":"Prapatsorn Borisut,&nbsp;Chaiyot Tangsathitkulchai,&nbsp;Atichat Wongkoblap,&nbsp;Aroonsri Nuchitprasittichai,&nbsp;Krittamet Phothong","doi":"10.1007/s10450-025-00633-4","DOIUrl":"10.1007/s10450-025-00633-4","url":null,"abstract":"<div><p>Carbon dioxide (CO₂) adsorption at high pressures by alkali-impregnated activated carbons was studied in this paper. Four types of activated carbon, prepared by the two-step activation method and the activation combined with oxidation method, were impregnated in different concentrations of NaOH solution of 1, 4, 7 and 10% by weight. The results of CO₂ adsorption at 0 °C up to the saturation pressure showed that the maximum adsorption capacity was obtained from the activated carbon prepared by the activation combined with oxidation method under conditions of 180 min of total activation time, two cycles of carbon oxidation and 1 weight% NaOH impregnation. An increase of the concentration of NaOH impregnation solution decreased the adsorbed amount of CO₂ for the four types of carbons used in this investigation. A Grand Canonical Monte Carlo (GCMC) simulation was used to investigate the adsorption mechanism of CO₂ in the finite-length slit pore model in the absence and presence of NaOH. An early onset in the adsorption isotherms can be observed in the heterogeneous pores. The alkali can enhance the adsorbed amount at low pressures, when pressures increase, it may cause difficult diffusion to the pore. The allocation of NaOH on carbon surfaces also affects the adsorption behavior. The adsorption isotherm for the fixed and random topologies with 1%weight NaOH can enhance the adsorption of CO₂ in the larger pore at high pressures too. While in the case of smaller pore at high pressures, the fixed topology showed the domination adsorption isotherm than the homogeneous and the random topology pores.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 systematic literature review on adsorption of potentially toxic elements from aquatic systems by sugarcane and corn residues","authors":"Mayara de Almeida Ribeiro Carvalho,&nbsp;Danielle Goveia,&nbsp;Wander Gustavo Botero,&nbsp;Luciana Camargo de Oliveira","doi":"10.1007/s10450-025-00634-3","DOIUrl":"10.1007/s10450-025-00634-3","url":null,"abstract":"<div><p>Potentially toxic elements (PTE) pose environmental concerns due to their persistence, toxicity, and accumulation in living organisms. Their effective removal from waters and effluents is crucial for preserving aquatic ecosystems, human health, and biodiversity. Conventional treatment methods face challenges like waste generation and harmful substances. In this context, adsorption using agro-industrial residues emerges as a sustainable, low-cost, and environmentally friendly alternative. This is especially relevant in countries like Brazil, the United States, India, China, Argentina, and Thailand, where sugarcane and corn residues are abundantly available. This systematic literature review aims to provide a comprehensive overview of the adsorption of PTE from aquatic systems using sugarcane and corn residues, contributing to the identification of trends, gaps, and future directions in this field. Sugarcane bagasse and corncobs are highlighted as the most commonly used residues. The most frequently reported experimental conditions include grinding as treatment, batch mode adsorption, adsorbate concentration of 50 mg L⁻¹, adsorbent concentration of 10 mg L⁻¹, temperature of 25 °C, and a contact time of 60 min. Specific details such as particle size (0.25 mm for sugarcane, 0.15 mm for corn), main PTE (Pb for sugarcane, Cd for corn), and optimal pH (5 for sugarcane, 6 for corn) were also identified. However, research gaps remain, such as the use of sugarcane and corn leaves, the biological modification of residues, and the study of less-explored PTEs like Fe and Mn. These gaps provide opportunities for future investigations and advances in water treatment technologies.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144108652","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Al8P8 double nanoring as a high-performance sensor for SF6 decomposed gases: A DFT-D4 study","authors":"Faizan Ullah,&nbsp;Nur Hazimah Binti Zainal Arfan,&nbsp;Khurshid Ayub,&nbsp;Tariq Mahmood,&nbsp;Nadeem S. Sheikh","doi":"10.1007/s10450-025-00636-1","DOIUrl":"10.1007/s10450-025-00636-1","url":null,"abstract":"<div><p>The efficacy of an Al₈P₈ double nanoring as a sensor for sulfur hexafluoride (SF₆) decomposition gases (H₂S, HF, SO₂, SO₂F₂, and SOF₂) is investigated using density functional theory with the PBE0-D4 functional and def2-TZVP basis set. Additionally, highly accurate DLPNO-CCSD(T)/cc-pVTZ single-point energy calculations are employed to refine the interaction energies. Interaction energies ranging from − 43.31 to − 63.92 kJ mol^− 1 are reported, with H₂S exhibiting the strongest adsorption. SO₂ adsorption induces the most significant change in the HOMO-LUMO gap, narrowing it to 1.34 eV from 3.18 eV, which suggests a substantial enhancement in electrical conductivity upon interaction. Non-covalent Interactions (NCI) analysis reveals a diverse range of interaction types, including hydrogen bonding and van der Waals interactions, contributing to the adsorption behavior. Rapid recovery times are observed, indicating the reusability of the sensor. The findings demonstrate that the Al₈P₈ double nanoring shows promise as a sensitive, selective, and reusable sensor, particularly for SO₂, with potential applications in industrial gas leak detection and environmental safety monitoring.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144108497","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}