Adsorption最新文献

{"title":"Statistical physics quantification of steric, energetic and thermodynamic adsorption attributes of methylene blue onto sodium styreneSulfonate-co-dimethylacrylamide super-adsorbent hydrogel for water detoxification","authors":"Fatma Aouaini,&nbsp;Kods Oueslati,&nbsp;Amin Naifar,&nbsp;Beriham Basha,&nbsp;Abdelmottaleb Ben Lamine","doi":"10.1007/s10450-025-00596-6","DOIUrl":"10.1007/s10450-025-00596-6","url":null,"abstract":"<div><p>Through a statistical physics modeling approach, a detailed theoretical scrutiny was conducted utilizing four distinct models based on the grand canonical ensemble to fit the Methylene Blue adsorption isotherms onto Sodium StyreneSulfonate-co-Dimethylacrylamide (NaSS-DMA) hydrogel surface. Steriographic along with energetic-thermodynamic metrics have been inspected in response to combined effects of temperature and concentration. The uptake process was best described by a bimodal-energy linking monolayer scenario involving two sites and energies (<span>(varepsilon_{1})</span> = 15.73 kJ/mol and <span>(varepsilon_{2})</span> = 17.85 kJ/mol) characterized by a multi-molecule adsorption process (n₁ = 8.383 and n₂ = 2.5967) at T = 295 K. Steriographic discussion revealed that the position of the adsorbate is non-parallel but a larger number of entities can be linked in the same receptor site. The adhesion reaction is exothermic and when the concentration exceeds 95 mg/L, the adsorbed amount decreases significantly in response to incremented heat conditions. More importantly, the investigated linking process is primarily driven by weak van der Waals forces (energies below 45 kJ/mol) while the negative values of Gibbs free energy validated its spontaneity. These outcomes supported the development of a robust mathematical framework that accurately predicts removal efficiencies of Methylene Blue onto NaSS-DMA hydrogel surface providing a deeper understanding of the involved nanoscale surface linking. The findings can be effectively translated into real-world applications for water treatment and environmental detoxification through the use of super-adsorbent hydrogels. By leveraging their optimized steric, energetic and thermodynamic properties, these hydrogels exhibit exceptional adsorption efficiency, enabling the removal of hazardous contaminants like Methylene Blue from polluted water systems. Their high capacity for adsorption, combined with stability and reusability, makes them ideal for large-scale applications in wastewater treatment plants and industrial effluent management. Finally, their compatibility with existing water purification technologies allows seamless integration into current systems, offering a cost-effective, sustainable and scalable solution for addressing water pollution challenges.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143108626","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":"Optimization and performance analysis of CuBiSCl2 based perovskite solar cells: a comprehensive study","authors":"Sofia Tahir,&nbsp;Shammas Mushtaq,&nbsp;Rasmiah S. Almufarij,&nbsp;A. R. Abd-Elwahed,&nbsp;Islam Ragab,&nbsp;Elsammani Ali Shokralla,&nbsp;Mohamed Abdelsabour Fahmy,&nbsp;Salhah Hamed Alrefaee,&nbsp;Arslan Ashfaq","doi":"10.1007/s10450-025-00597-5","DOIUrl":"10.1007/s10450-025-00597-5","url":null,"abstract":"<div><p>This study presents a detailed numerical analysis of perovskite solar cells to optimize their photovoltaic performance through systematic parameter variation. Key parameters, including absorber layer thickness, bandgap tuning, metal back contacts, and interface layer properties, were investigated for their influence on device performance. The optimized device configuration achieved a power conversion efficiency of 29.39%, a fill factor of 85.54%, a short-circuit current density of 28.37 mA/cm², and an open-circuit voltage of 1.21 V. The study highlights the critical role of these parameters in enhancing quantum efficiency, current-voltage characteristics, and overall device stability. These findings provide a scientific framework for material selection and device engineering, paving the way for advancements in the design and fabrication of high-performance perovskite solar cells and contributing to the development of sustainable energy technologies.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109975","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":"Exploring advanced artificial intelligence techniques for efficient hydrogen storage in metal organic frameworks","authors":"Arefeh Naghizadeh,&nbsp;Fahimeh Hadavimoghaddam,&nbsp;Saeid Atashrouz,&nbsp;Meriem Essakhraoui,&nbsp;Dragutin Nedeljkovic,&nbsp;Abdolhossein Hemmati-Sarapardeh,&nbsp;Ahmad Mohaddespour","doi":"10.1007/s10450-024-00584-2","DOIUrl":"10.1007/s10450-024-00584-2","url":null,"abstract":"<div><p>Metal organic frameworks (MOFs) have demonstrated remarkable performance in hydrogen storage due to their unique properties, such as high gravimetric densities, rapid kinetics, and reversibility. This paper models hydrogen storage capacity of MOFs utilizing numerous machine learning approaches, such as the Deep Neural Network (DNN), Convolutional Neural Network (CNN), and Gaussian Process Regression (GPR). Here, Radial Basic Function (RBF) and Rational Quadratic (RQ) kernel functions were employed in GPR. To this end, a comprehensive databank including 1729 experimental data points was compiled from various literature surveys. Temperature, pressure, surface area, and pore volume were utilized as input variables in this databank. The results indicate that the GPR-RQ intelligent model achieved superior performance, delivering highly accurate predictions with a mean absolute error (MAE) of 0.0036, Root Mean Square Error (RMSE) of 0.0247, and a correlation coefficient (R²) of 0.9998. In terms of RMSE values, the models GPR-RQ, GPR-RBF, CNN, and DNN were ranked in order of their performance, respectively. Moreover, by calculating Pearson correlation coefficient, the sensitivity analysis showed that pore volume and surface area emerged as the most influential factors in hydrogen storage, boasting absolute relevancy factors of 0.45 and 0.47, respectively. Lastly, outlier detection assessment employing the leverage approach revealed that almost 98% of the data points utilized in the modeling are reliable and fall within the valid range. This study contributed to understanding how input features collectively influence the estimation of hydrogen storage capacity of MOFs.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109935","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":"Natural cellulose fibers from Agave Americana L. ASPARAGACEAE as an effective adsorbent for mercury in aqueous solutions","authors":"Hugo Sánchez-Moreno,&nbsp;Lourdes García-Rodríguez,&nbsp;Celso Recalde-Moreno","doi":"10.1007/s10450-024-00590-4","DOIUrl":"10.1007/s10450-024-00590-4","url":null,"abstract":"<div><p> This study investigated the use of functionalized cabuya fibers (FCF) as an effective adsorbent for Hg (II) removal from aqueous solutions. The composition, surface properties, and morphology of the FCF were characterized by scanning electron microscopy (SEM), energy dispersive X-ray spectrometry (EDS), and Fourier transform infrared spectroscopy (FTIR). The effects of the pH, contact time, temperature, adsorbent dosage, and initial Hg (II) concentration on the adsorption process were studied. Under optimized experimental conditions, FCF achieved a removal efficiency exceeding 92%, with a maximum adsorption capacity of 8.29 mg/g. The experimental data for the FCF isotherm were analyzed using the Langmuir, Freundlich, DR, and Temkin adsorption models. Notably, the Langmuir isotherm exhibited the highest R² value of 0.99, indicating the model’s strong applicability. The pseudo-second-order kinetic model k₂ = 0.42 mg/g.min was employed to elucidate the adsorption mechanism. Thermodynamic studies of the adsorbent FCF were conducted, and ΔG° (-6.16 kJ/mol), ΔH° (36.29 kJ/mol), and ΔS° (141.98 kJ/mol·K) were calculated, assessing the feasibility of the process. Additionally, the desorption results of FCF were evaluated, demonstrating that it can be reused for up to three cycles, achieving adsorption rates of 74% and 62% in the third cycle. This indicates its stability and recycling capacity. Finally, the effectiveness of the FCF was demonstrated by eliminating approximately 91% of Hg (II) from real mineral water samples in Ecuador. These results highlight the p of FCF as promising, eco-friendly, and sustainable adsorbents for the remediation of Hg (II) contamination in aquatic systems.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-024-00590-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109938","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":"Effective macropore diffusivity of carbon dioxide on binderless pellets of Y-type zeolites","authors":"Hassan Azzan,&nbsp;Killian Gmyrek,&nbsp;David Danaci,&nbsp;Ashwin Kumar Rajagopalan,&nbsp;Camille Petit,&nbsp;Ronny Pini","doi":"10.1007/s10450-025-00599-3","DOIUrl":"10.1007/s10450-025-00599-3","url":null,"abstract":"<div><p>The adsorption kinetics of carbon dioxide (CO₂) in three cationic forms of binderless pellets of Y-types zeolites (H-Y, Na-Y, and TMA exchanged Na-Y) are studied using the zero-length column (ZLC) technique. The measurements were carried out at <span>(288.15,textrm{K},298.15,textrm{K})</span> and <span>({308.15},textrm{K})</span> using different flowrates and an initial CO₂ partial pressure of <span>({0.10} ,textrm{bar})</span>– conditions representative of post-combustion CO₂ capture applications. The mass transport within the adsorbent pellets was described using a 1-D Fickian diffusion model accounting for intra- and inter-crystalline mass transport. For the latter, the parallel pore model formulation was used to explicitly account for the adsorbent’s macropore size distribution in estimating the volume-averaged diffusivity of the gas. Experiments carried out using different carrier gases, namely helium and nitrogen, were used (i) to determine that these systems are macropore diffusion limited and (ii) to simplify the parameter estimation to a single parameter - the macropore tortuosity. The latter (<span>(tau =1.3-2.5)</span>) was in good agreement with independent measurements using MIP (<span>(tau approx 1.7)</span>). The associated diffusion coefficient, <span>(D^textrm{e}_textrm{mac})</span>, was found to vary due to differences in the materials’ macropore size distributions and overall porosity. Upon combining the parallel pore model formulation with the temperature dependencies for the pore diffusivities derived from molecular theories of gases, we predict <span>(D^textrm{e}_textrm{mac}propto {T^b})</span> with <span>(b=[0.78-0.88])</span> depending on the macropore size distribution. Notably, for the range of temperature tested in this study, <span>(D^textrm{e}_textrm{mac})</span> varies approximately linearly with temperature (<span>(bapprox 1)</span>)– in contrast to the commonly reported correlation of <span>(b=1.75)</span>, which may be more appropriate for systems where molecular diffusion dominates and Knudsen diffusion is negligible. The binderless pellets of Y-type zeolites studied exhibit generally higher values for the effective macropore diffusivity of CO₂ compared to previously reported results on commercial FAU zeolites.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11785662/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143078214","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":"A combined experimental and theoretical investigation via statistical physics for adsorption evaluation of 3 aminophenol (AMP) onto the activated carbon derived from avocado seeds (ASAC) adsorbent","authors":"Kods Oueslati,&nbsp;Eder C Lima,&nbsp;Amin Naifar,&nbsp;Fatma Aouaini,&nbsp;Beriham Basha,&nbsp;Tahani Alrebdi,&nbsp;Abdelmottaleb Ben Lamine","doi":"10.1007/s10450-025-00593-9","DOIUrl":"10.1007/s10450-025-00593-9","url":null,"abstract":"<div><p>With advances in industrialization, water pollution has become an increasing concern, and research must be directed towards developing solutions to address this growing threat to both human health and ecosystems. This current paper is devoted to investigating the adsorption of a phenolic material, 3-aminophenol (AMP)—a raw material used in dye production—on activated carbon derived from avocado seed adsorbent (ASAC) for the purpose of remediating polluted water. Rooted in a statistical physics approach, five distinct models were applied to fit the empirical data: the single-energy monolayer model (Model 1), dual-energy monolayer model (Model 2), tri-energetic monolayer model (Model 3), single-energy bilayer model (Model 4) and dual-energy bilayer model (Model 5). Additionally, a topographic examination was conducted to assess the pore size distribution (PSD) and the adsorbed energy distribution (AED), contributing significantly to the comprehensiveness of linking reaction. It appears that the model 1 provides the most accurate fit, based on the convergence criteria (R², R²_Adj and RMS). By exploiting the involved variables of Model 1, we have quantified three thermodynamic properties (entropy, Gibbs free energy, and internal energy) as a function of distinct temperature and concentration intervals. Stereographic elucidation has revealed that the number of adsorbed molecules per site (n) is typically below 0.5, indicating that adsorbate entities are trapped through the action of one or more adhesion cavities. Meanwhile, the orientation of linked entities is parallel, interacting with two or more sites. The abundance of receptor sites, N_m, significantly increased from 643.8853 to 812.3822 mg/g when the temperature was raised from 303 to 323 K. The computed adhesion energies confirmed were below 40 kJ/mol, indicating an exothermic physisorption associated with van der Waals forces and hydrogen bonding. The adsorbent/adsorbate system is likely spontaneous, as the analysis of Gibbs free energy yielded negative results. Finally, PSD analysis suggested that the adsorbent surface is predominantly composed of macropores. Additionally, AED inspection confirmed the physisorption mechanism.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109868","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":"Exploring the limits of csq-Zr-MOFs in Adsorption Heat Pumps: a computational study of their potential for cooling and heating applications","authors":"Mikhail Suyetin,&nbsp;Maxim V. Peskov,&nbsp;Udo Schwingenschlögl,&nbsp;Lev Sarkisov","doi":"10.1007/s10450-024-00579-z","DOIUrl":"10.1007/s10450-024-00579-z","url":null,"abstract":"<div><p>Adsorption Heat Pumps (AHPs) promise to play a leading role in achieving targets for decarbonization and reducing worldwide energy consumption. Metal-organic frameworks (MOFs) have been extensively explored in recent years as the medium for AHP due to their outstanding tunability, large surface area, and pore volume. In this work, we computationally design a series of Zr-MOFs with a <b>csq</b> topology using organic linkers of varying lengths to investigate the improvement of the coefficient of performance for heating (<b>COP</b>_<b>H</b>) and cooling (<b>COP</b>_<b>C</b>). Employing DFT methods, we assess the mechanical stability of these <b>csq</b>-Zr-MOFs by analyzing bulk modulus, shear modulus, and Young’s modulus. We set criteria for mechanical stability, requiring hypothetical <b>csq</b>-Zr-MOFs to have superior or at least equal mechanical properties compared to the experimentally obtained reference MOFs: DUT-6, DUT-60, and MOF-399. It is encouraging to observe that mechanically stable, in silico designed <b>csq</b>-Zr-MOF-<b>5T</b> demonstrates superior cooling performance with a <b>COP</b>_<b>C</b><b> = 0.88</b>. Furthermore, <b>5T</b> approaches the theoretical <b>COP</b>_<b>H</b> limit with a <b>COP</b>_<b>H</b><b> = 1.91</b>. This highlights the importance of pore engineering in optimizing MOF properties. In addition to creating new types of MOFs, we advocate for fine-tuning the existing MOFs using molecular simulations as a guidance.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-024-00579-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109709","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":"Pt-decorated BC2N monolayer as a promising sensor for γ-Hydroxybutyric acid drug: a computational study","authors":"Mohamed J. Saadh,&nbsp;Mohammed Ahmed Mustafa,&nbsp;Pawan Sharma,&nbsp;Abhishek Kumar,&nbsp;Anmar Ghanim Taki,&nbsp;Manal Morad Karim,&nbsp;Salah Hassan Zain Al-Abdeen,&nbsp;Majli Nema Hawas,&nbsp;Ahmed Elawady,&nbsp;Mohammed Asiri","doi":"10.1007/s10450-024-00585-1","DOIUrl":"10.1007/s10450-024-00585-1","url":null,"abstract":"<div><p>Gamma-Hydroxybutyric acid (HBA) has been banned by the Food and Drug Administration (FDA) due to its extensive use in sexual assaults. HBA must be detected in biological media through effective methodologies. This paper evaluated the feasibility of exploiting pristine and Pt-decorated BC2N nanosheets in HBA detection using density functional theory (DFT). HBA molecules were found to be adsorbed onto BC2N, with an adsorption energy of -52.1 kJ/mol. The space around N atoms on the adsorbent and drug is a major determinant of the interaction (particularly the steric hindrance effect). The pristine BC2N nanosheets showed a poor tendency to adsorb HBA, with a negligible response of 5.3 at 298 K. The Pt atom, on the other hand, strongly adsorbed the HBA through its C head, releasing − 151.2 kJ/mol of adsorption energy and inducing a sufficiently long distance from the N atom on account of smaller crowding. The BC2N nanosheet facilitated the adsorption of HBA onto Pt through the O head of HBA molecules, with an adsorption energy of -151.2 kJ/mol. Therefore, the adsorption mechanism was concluded to be chemisorption. The decoration of BC2N with Pt remarkably enhanced its HBA sensitivity and provided a reactivity of 340.7, which would be explained by the major charge transfer from the adsorbate to the adsorbent. A recovery time of 4.9 s was predicted for the desorption of HBA from Pt@BC2N. Thus, Pt decoration enabled BC2N nanosheets to be a promising HBA nanosensor.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109395","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":"Growth, structural, spectral, DFT and Hirshfeld surface analysis study of zinc based glutamic acid ligand having CO2 adsorption application","authors":"D. G. Arya,&nbsp;M. G. Darsana,&nbsp;B. R. Bijini","doi":"10.1007/s10450-025-00595-7","DOIUrl":"10.1007/s10450-025-00595-7","url":null,"abstract":"<div><p>The intention of this study is to develop an effective material for CO₂ adsorption by synthesizing a zinc glutamate (ZnG) crystal at room temperature via the gel diffusion method. The crystal’s structure was investigated using X-ray diffraction (XRD), and information about its optical and thermal characteristics was obtained using diverse spectroscopic methods, photoluminescence, and thermogravimetric analysis (TGA). Molecular geometry optimization was done using density functional theory (DFT), and hydrogen interactions inside the crystal were evaluated using Hirshfeld fingerprint mapping. With a high CO₂/N₂ selectivity of 19.62, a heat of adsorption (Qst) of 19.67 kJ/mol, and a CO₂ adsorption capacity of 18.022 weight% at 273 K, the ZnG crystal showed promise as a material for CO₂ capture.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109503","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":"Two dimensional coordination polymer of pb(II) complex with m-sulfanilic acid: synthesis, characterization, electrical conductivity, adsorption properties and Hirshfeld surface analysis","authors":"Abdullaev Ahrorjon Khabibjonovich,&nbsp;Yakubov Yuldosh Yusupboevich,&nbsp;Adizov Bobirjon Zamirovich,&nbsp;Ruzmetov Abror Khamidjanovich,&nbsp;Normamatov Adkhamjon Sadullayevich,&nbsp;Mamatkodirov D. Behzodjon,&nbsp;Kodambaev Pirnazar Kodamboevich,&nbsp;Ikram I. Abdullaev,&nbsp;Chellakarungu Balakrishnan,&nbsp;Ibragimov Bakhtiyar Tulaganovich,&nbsp;Ashurov Jasmshid Mengnorovich,&nbsp;Junkuo Gao,&nbsp;Ibragimov Aziz Bakhtiyarovich","doi":"10.1007/s10450-024-00587-z","DOIUrl":"10.1007/s10450-024-00587-z","url":null,"abstract":"<div><p>This study presents the synthesis, structure and characterization of a novel two-dimensional coordination polymer (<b>CP</b>) constructed from Pb(II) ions and m-sulfanilic acid. The CP was characterized using various techniques, including element analysis, FTIR-, UV-Visible spectrometry, TG- DTA analysis, powder and single-crystal X-ray diffraction. The crystal structure of the catena-(bis(µ3-3-aminobenzenesulfonato)lead(II)) complex shows that each lead(II) ion is surrounded by two nitrogen atoms and six oxygen atoms from the amino and sulfonate groups of the 3-aminobenzenesulfonate ligands. Importantly, the lead(II) ions have a stereochemically active lone pair of electrons, which results in a distorted coordination geometry. This distortion, known as hemidirected coordination, arises from the uneven distribution of ligands around the lead ion due to the influence of the lone pair. Its electrical conductivity was measured, revealing its potential for electronic applications. Adsorption properties were evaluated for gas N₂. The BET surface area was calculated to be 383.108 m²/g, with a monolayer capacity of 4.2 mmol/g and a C value of 120. The molecular cross-sectional area for nitrogen was taken as 0.162 nm²/molecule. The porosity (ε) of the sample was determined to be 0.65, considering both open and closed pores. Additionally, Hirshfeld surface analysis provided insights into intermolecular interactions within the <b>CP</b>, primarily O—H/H—O interactions (32.1%), H—H interactions (24.8%), and C—H/H—C interactions (16.7%). Pb—O/O—Pb interactions contribute 10.1%, and O—C/C—O interactions contribute 7.3%. Other interactions, such as Pb—N/N—Pb, O—O, O—N/N—O, Pb—H/H—Pb, and Pb—C/C—Pb, contribute smaller percentages. The Continuous Symmetry Measure (CSM) analysis of the lead complex indicates a nearly symmetric structure with slight distortions, as evidenced by its coordination number of 7.7369 and a distortion index of 0.02089. Bond Valence Sum (BVS) analysis confirms that the lead ion is in an oxidation state close to + 2, with a total BVS of 1.87.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109424","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}