Adsorption最新文献

{"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}

{"title":"Effect of confinement on the characterization of nanoporous materials by NMR relaxometry","authors":"Carola Vorndran,&nbsp;Lukas Sandner,&nbsp;Andreas Schuss,&nbsp;Matthias Thommes","doi":"10.1007/s10450-025-00632-5","DOIUrl":"10.1007/s10450-025-00632-5","url":null,"abstract":"<div><p>Valid textural characterization is crucial for many applications such as catalysis, separation as well as energy storage/conversion. In that regard, textural characterization in the gas/dry state using gas physisorption and mercury porosimetry is well established, but these methods might not be sufficient for the characterization of wet materials used in liquid-phase processes. Within this context, the applicability of nuclear magnetic resonance (NMR) relaxometry for surface area assessment of nonporous silica/carbon materials has been demonstrated [Schlumberger et al. (2023). https://doi.org/10.1021/acs.langmuir.2c03337]. However, a comprehensive and rigorous assessment of the applicability of NMR relaxometry for surface area and pore size assessment of nanoporous materials coupled with a systematic investigation of how the confinement affects the NMR relaxation behavior is missing so far. Hence, we present here a systematic study based on a series of ordered mesoporous silica model materials exhibiting well-defined pore sizes between approx. 2.5 and 10 nm saturated with a bulk liquid water as well as a bulk water vapor phase. The study suggests that an adaption of the two-fraction-fast-exchange model to account for the pore geometry is necessary for valid surface area assessment as well as pore size analysis of nanoporous silica material particularly for pores smaller than approx. 10 nm.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-025-00632-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144073902","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":"Molecular simulation of fluid adsorption in nanoporous adsorbents: simple descriptors for space decontamination applications","authors":"Rajasekaran Manokaran,&nbsp;Thibaud Aumond,&nbsp;Julien Eck,&nbsp;Orcun Ergincan,&nbsp;Cecile Daniel,&nbsp;David Farrusseng,&nbsp;Benoit Coasne","doi":"10.1007/s10450-025-00631-6","DOIUrl":"10.1007/s10450-025-00631-6","url":null,"abstract":"<div><p>We report a molecular simulation study on the adsorption-based trapping of different gaseous contaminants using nanoporous materials. In more detail, in the context of gas decontamination for space applications, we focus on adsorption from low pressures up to larger pressures of specific molecules ranging from water, hydrocarbons, and siloxanes. As far as the nanoporous adsorbents are concerned, we restrict the present study to a set of prototypical materials: an active carbon, a zeolite and a metal-organic framework. In addition to discussing the ability of each material type to adsorb specific gas molecules, we illustrate how simple descriptors such as Henry’s constant in the low-pressure range <span>(K_text {H})</span> and the pressure <span>(alpha)</span> at which half the nanoporosity gets filled can be used to rationalize and design molecular “getters” for space decontamination. Finally, by considering a specific yet representative binary gas mixture, we show that the adsorption of hydrophilic molecules– water– and hydrophobic molecules– siloxane– occurs without competitive/collective adsorption effect (provided adsorption occurs at low to moderate pressures).</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143938526","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":"Applying the FastIAS algorithm to the Redlich-Peterson isotherm","authors":"Stefano Brandani,&nbsp;Daniel Friedrich,&nbsp;Enzo Mangano","doi":"10.1007/s10450-025-00630-7","DOIUrl":"10.1007/s10450-025-00630-7","url":null,"abstract":"<div><p>The Redlich-Peterson isotherm is widely used in liquid phase adsorption studies but the combination with the Ideal Adsorbed Solution Theory is hampered by the fact that an analytical expression for the reduced grand potential does not exist in the range of low pressures or concentrations. In this contribution we demonstrate an efficient approach to approximate the reduced grand potential using a Padé approximant allowing to perform the calculations with the Fast-IAS algorithm leading to execution times that are slightly slower but comparable to a dual site Langmuir/Fast-IAS combination. While the non-autonomous initial value approach remains a simpler method for this isotherm, the proposed method is recommended when execution times have to be minimized.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-025-00630-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143925633","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":"Model for predicting adsorption isotherms and the kinetics of adsorption via steepest-entropy-ascent quantum thermodynamics","authors":"Adriana Saldana-Robles,&nbsp;Cesar Damian,&nbsp;William T. Reynolds Jr.,&nbsp;Michael R. von Spakovsky","doi":"10.1007/s10450-025-00629-0","DOIUrl":"10.1007/s10450-025-00629-0","url":null,"abstract":"<div><p>This work outlines the foundations for conducting a first-principle study of the adsorption process using the steepest-entropy-ascent quantum thermodynamic (SEAQT) framework, a method capable of predicting the unique non-equilibrium path a system follows from an initial state to stable equilibrium. To account for multi-component adsorption, the SEAQT framework integrates the particle number operator for each adsorbed species directly into its equation of motion. The framework is a unified approach for describing both adsorption kinetics and equilibrium isotherms. At equilibrium, it aligns well with classical isotherm models, while out of equilibrium, it provides a consistent description of adsorption kinetics in terms of grand potentials. The theoretical predictions are validated through initial comparisons with experimental data from the literature and show good agreement. Furthermore, the SEAQT framework achieves this without requiring a priori knowledge of specific adsorption mechanisms. Additionally, it reveals the relationship between intensive thermodynamic properties during kinetic change to out-of-equilibrium fluctuations, underscoring the relevance of non-equilibrium thermodynamics to measurable physical quantities. : .</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143875383","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":"Insight into recent advances of post synthetically modified Zr-basedMOF for the treatment of high COD produced water","authors":"Humaira Gul Zaman,&nbsp;Lavania Baloo,&nbsp;Puganeshwary Palaniandy,&nbsp;Mohd Remy Rozainy Mohd Arif Zainol","doi":"10.1007/s10450-025-00608-5","DOIUrl":"10.1007/s10450-025-00608-5","url":null,"abstract":"<div><p>Organic pollution is a major environmental issue that requires the deployment of steps to lower the organic content of water. In this study, Glycidyl methacrylate (GMA) functionalized Zr-MOF was fabricated and employed as a selective adsorbent in PW to reduce COD level. XRD, EDX, BET, PSA and FT-IR were employed to investigate the properties of the synthesized MOF. The synthesized MOF has an enormous surface area of 1144 m^2/g, a mean pore diameter of 2.84 nm, and an overall pore volume of 0.37 cm³/g. Investigating the effects of pH (2–12), contact time (10–120 min), and adsorbent dose (0-2000 mg/L) on COD % removal allowed us to assess the effectiveness of UiO-66-GMA. The results demonstrated that at pH 8 and a 500 mg/L dose of MOF, COD removal efficiency increased from 35.2 to 94.67%. Additionally, as contact time was extended from 10 to 50 min, the removal efficiency improved from 52.78 to 92.4%. Adsorption isotherm analysis revealed that the pseudo-second-order kinetic and Freundlich isothermal models provided a very good match to the adsorption data (R² = 0.98). A maximum COD removal efficiency of 96.12% was reported. Based on the current research, it is feasible to draw the conclusion that Zr-functionalized MOFs are an efficient adsorbent for the adsorption of organic contaminants.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856440","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":"Interlaboratory study of the quality of water vapor sorption data for wood from automated sorption balances","authors":"Samuel L. Zelinka,&nbsp;Samuel V. Glass,&nbsp;Natalia Farkas,&nbsp;Emil E. Thybring,&nbsp;Michael Altgen,&nbsp;Lauri Rautkari,&nbsp;Simon Curling,&nbsp;Jinzhen Cao,&nbsp;Yujiao Wang,&nbsp;Tina Künniger,&nbsp;Gustav Nyström,&nbsp;Christopher Hubert Dreimol,&nbsp;Ingo Burgert,&nbsp;Mark G. Roper,&nbsp;Darren P. Broom,&nbsp;Matthew Schwarzkopf,&nbsp;Arief Yudhanto,&nbsp;Mohammad Subah,&nbsp;Gilles Lubineau,&nbsp;Maria Fredriksson,&nbsp;Wiesław Olek,&nbsp;Jerzy Majka,&nbsp;Nanna Bjerregaard Pedersen,&nbsp;Daniel J. Burnett,&nbsp;Armando R. Garcia,&nbsp;Frieder Dreisbach,&nbsp;Louis Waguespack,&nbsp;Jennifer Schott,&nbsp;Luis G. Esteban,&nbsp;Alberto García‑Iruela,&nbsp;Thibaut Colinart,&nbsp;Romain Rémond,&nbsp;Brahim Mazian,&nbsp;Patrick Perré,&nbsp;Lukas Emmerich","doi":"10.1007/s10450-025-00627-2","DOIUrl":"10.1007/s10450-025-00627-2","url":null,"abstract":"<div><p>Automated sorption balances are widely used for characterizing the interaction of water vapor with hygroscopic materials. This paper is part of an interlaboratory study investigating the stability and performance of automated sorption balances. A previous paper in this study investigated the mass, temperature, and relative humidity (RH) stability of automated sorption balances by looking at the mass change of a non-hygroscopic sample over time. In this study, we examine the mass stability of wood samples held at constant RH for seven to ten days after a step change. The reason for the long hold times was to collect data to “operational equilibrium” where the change in mass is on the order of the inherent operational stability of the instrument. A total of 80 datasets were acquired from 21 laboratories covering absorption with final RH levels ranging from 10 to 95%. During these long hold times, several unusual behaviors were observed in the mass-vs-time curves. Deviations from expected sorption behavior were examined by fitting the data to an empirical sorption kinetics model and calculating the root mean square error (RMSE) between the observed and smoothed behavior. Samples that had a large RMSE relative to the median RMSE of the other datasets often had one of several types of errors: abrupt disturbances, diurnal oscillations, or long-term mass decline during an absorption step. In many cases, mass fluctuations were correlated with changes in the water reservoir temperature of the automated sorption balance. We discuss potential errors in sorption measurements on hygroscopic materials and suggest an acceptable level of RMSE for sorption data.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 4","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-025-00627-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830847","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":"Temperature-dependent kinetic analysis of direct air capture using a gravimetric approach in porous environments","authors":"Yongqiang Wang,&nbsp;Dan Zhao,&nbsp;Gang Kevin Li","doi":"10.1007/s10450-025-00615-6","DOIUrl":"10.1007/s10450-025-00615-6","url":null,"abstract":"<div><p>Adsorption kinetics has been regarded as one of the most critical factors determining the productivity and economic feasibility of direct air capture (DAC) of CO₂, but has received relatively little attention compared with adsorption thermodynamics. One commonly used method for kinetics investigation is thermogravimetric analysis (TGA) which suffers from gas diffusion limitations and often underestimates adsorption rates. Here, a modified TGA system equipped with a porous self-made crucible was employed to address the gas diffusion challenges and analyze the kinetic behaviors of three polymeric chemisorbents, including Lewatit VP OC 1065, for DAC. The obtained adsorption kinetics were successfully applied to simulate and describe the breakthrough behaviors in a fixed-bed column. The CO₂ adsorption/desorption kinetics of chemisorbents with different amine structures or loadings were measured at various temperatures and described through the linear driving force model. The present work offers a reliable and fast kinetics analysis approach for DAC, paving the way for accurately collecting the kinetics parameters used for guiding further adsorbent and process design.</p><h3>Graphic abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 4","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-025-00615-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740852","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}