Adsorption最新文献

筛选
英文 中文
Optimization and performance analysis of CuBiSCl2 based perovskite solar cells: a comprehensive study CuBiSCl2基钙钛矿太阳能电池的优化与性能分析:综合研究
IF 3 4区 工程技术
Adsorption Pub Date : 2025-01-31 DOI: 10.1007/s10450-025-00597-5
Sofia Tahir, Shammas Mushtaq, Rasmiah S. Almufarij, A. R. Abd-Elwahed, Islam Ragab, Elsammani Ali Shokralla, Mohamed Abdelsabour Fahmy, Salhah Hamed Alrefaee, Arslan Ashfaq
{"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/cm<sup>2</sup>, 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}
引用次数: 0
Natural cellulose fibers from Agave Americana L. ASPARAGACEAE as an effective adsorbent for mercury in aqueous solutions 龙舌兰美洲L.天门冬科天然纤维素纤维对汞的有效吸附剂
IF 3 4区 工程技术
Adsorption Pub Date : 2025-01-31 DOI: 10.1007/s10450-024-00590-4
Hugo Sánchez-Moreno, Lourdes García-Rodríguez, Celso Recalde-Moreno
{"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 k<sub>2</sub> = 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}
引用次数: 0
Exploring advanced artificial intelligence techniques for efficient hydrogen storage in metal organic frameworks 探索在金属有机框架中高效储氢的先进人工智能技术
IF 3 4区 工程技术
Adsorption Pub Date : 2025-01-31 DOI: 10.1007/s10450-024-00584-2
Arefeh Naghizadeh, Fahimeh Hadavimoghaddam, Saeid Atashrouz, Meriem Essakhraoui, Dragutin Nedeljkovic, Abdolhossein Hemmati-Sarapardeh, Ahmad Mohaddespour
{"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}
引用次数: 0
Effective macropore diffusivity of carbon dioxide on binderless pellets of Y-type zeolites 二氧化碳在无粘结剂y型沸石球团上的有效大孔扩散系数。
IF 3 4区 工程技术
Adsorption Pub Date : 2025-01-31 DOI: 10.1007/s10450-025-00599-3
Hassan Azzan, Killian Gmyrek, David Danaci, Ashwin Kumar Rajagopalan, Camille Petit, Ronny Pini
{"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 (CO<sub>2</sub>) 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 CO<sub>2</sub> partial pressure of <span>({0.10} ,textrm{bar})</span>– conditions representative of post-combustion CO<sub>2</sub> 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 CO<sub>2</sub> 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}
引用次数: 0
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 利用统计物理方法研究了牛油果种子活性炭(ASAC)吸附剂对3 -氨基酚(AMP)的吸附性能
IF 3 4区 工程技术
Adsorption Pub Date : 2025-01-31 DOI: 10.1007/s10450-025-00593-9
Kods Oueslati, Eder C Lima, Amin Naifar, Fatma Aouaini, Beriham Basha, Tahani Alrebdi, Abdelmottaleb Ben Lamine
{"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, R<sup>2</sup><sub>Adj</sub> 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<sub>m</sub>, 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}
引用次数: 0
Exploring the limits of csq-Zr-MOFs in Adsorption Heat Pumps: a computational study of their potential for cooling and heating applications 探索csq-Zr-MOFs在吸附热泵中的限制:对其冷却和加热应用潜力的计算研究
IF 3 4区 工程技术
Adsorption Pub Date : 2025-01-28 DOI: 10.1007/s10450-024-00579-z
Mikhail Suyetin, Maxim V. Peskov, Udo Schwingenschlögl, Lev Sarkisov
{"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><sub><b>H</b></sub>) and cooling (<b>COP</b><sub><b>C</b></sub>). 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><sub><b>C</b></sub><b> = 0.88</b>. Furthermore, <b>5T</b> approaches the theoretical <b>COP</b><sub><b>H</b></sub> limit with a <b>COP</b><sub><b>H</b></sub><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}
引用次数: 0
Pt-decorated BC2N monolayer as a promising sensor for γ-Hydroxybutyric acid drug: a computational study pt修饰的BC2N单层作为γ-羟基丁酸药物传感器的计算研究
IF 3 4区 工程技术
Adsorption Pub Date : 2025-01-25 DOI: 10.1007/s10450-024-00585-1
Mohamed J. Saadh, Mohammed Ahmed Mustafa, Pawan Sharma, Abhishek Kumar, Anmar Ghanim Taki, Manal Morad Karim, Salah Hassan Zain Al-Abdeen, Majli Nema Hawas, Ahmed Elawady, Mohammed Asiri
{"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}
引用次数: 0
Growth, structural, spectral, DFT and Hirshfeld surface analysis study of zinc based glutamic acid ligand having CO2 adsorption application 具有CO2吸附作用的锌基谷氨酸配体的生长、结构、光谱、DFT和Hirshfeld表面分析研究
IF 3 4区 工程技术
Adsorption Pub Date : 2025-01-25 DOI: 10.1007/s10450-025-00595-7
D. G. Arya, M. G. Darsana, B. R. Bijini
{"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 CO<sub>2</sub> 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 CO<sub>2</sub>/N<sub>2</sub> selectivity of 19.62, a heat of adsorption (Qst) of 19.67 kJ/mol, and a CO<sub>2</sub> adsorption capacity of 18.022 weight% at 273 K, the ZnG crystal showed promise as a material for CO<sub>2</sub> 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}
引用次数: 0
Two dimensional coordination polymer of pb(II) complex with m-sulfanilic acid: synthesis, characterization, electrical conductivity, adsorption properties and Hirshfeld surface analysis 铅(II) -间磺酸配合物二维配位聚合物的合成、表征、电导率、吸附性能及Hirshfeld表面分析
IF 3 4区 工程技术
Adsorption Pub Date : 2025-01-25 DOI: 10.1007/s10450-024-00587-z
Abdullaev Ahrorjon Khabibjonovich, Yakubov Yuldosh Yusupboevich, Adizov Bobirjon Zamirovich, Ruzmetov Abror Khamidjanovich, Normamatov Adkhamjon Sadullayevich, Mamatkodirov D. Behzodjon, Kodambaev Pirnazar Kodamboevich, Ikram I. Abdullaev, Chellakarungu Balakrishnan, Ibragimov Bakhtiyar Tulaganovich, Ashurov Jasmshid Mengnorovich, Junkuo Gao, Ibragimov Aziz Bakhtiyarovich
{"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 N<sub>2</sub>. 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}
引用次数: 0
The effect of surface modification on polyvinyl alcohol-chitosan hydrogels towards the recovery of metals from e-waste 聚乙烯醇-壳聚糖水凝胶表面改性对电子垃圾金属回收的影响
IF 3 4区 工程技术
Adsorption Pub Date : 2025-01-25 DOI: 10.1007/s10450-025-00592-w
P. Sivakumar, Raja S. Azarudeen, D. Prabhakaran, M. Thirumarimurugan
{"title":"The effect of surface modification on polyvinyl alcohol-chitosan hydrogels towards the recovery of metals from e-waste","authors":"P. Sivakumar,&nbsp;Raja S. Azarudeen,&nbsp;D. Prabhakaran,&nbsp;M. Thirumarimurugan","doi":"10.1007/s10450-025-00592-w","DOIUrl":"10.1007/s10450-025-00592-w","url":null,"abstract":"<div><p>Electronic waste poses a huge threat to the environment and health due to the release of toxic metals and coated resins occurred during improper recycling. In this context, a facile approach was employed for the preparation of surface modified hydrogels involving polyvinyl alcohol (PVA) and chitosan (CS) with conducting polymers viz. polyaniline (PANI) and polypyrrole (PPy) to remove the selective Pb(II) and Cd(II) ions from synthetic solution and real-time waste computer printed circuit boards (wPCBs). FTIR spectroscopy clearly revealed the crosslinking effectiveness, identification of functional groups and coating efficiency. The prepared hydrogels were thermally stable up to 500 ºC as determined from thermogravimetric analysis. The surface of PVA-CS hydrogel modified by PANI and PPy showed large amount of active sites to entrap the metal ions as revealed by scanning electron microscopy. Surface area determined by BET analysis for PVA-CS hydrogel coated by PANI and PPy with 299.7 and 264.05 m<sup>2</sup>/g, respectively exhibits an opportunity to recover huge amount of metal ions. At varied parameters such as surface coating efficiency, contact time and hydrogel dosage, the recovery of toxic metal ions was widely investigated. At an optimized condition, the hydrogels were employed for the successful recovery of selective Pb(II) and Cd(II) ions from the waste PCBs. Kinetic and isothermal models study revealed best fit results for Pseudo second-order and multilayer adsorption by Freundlich isotherm. Hence, the prepared surface modified hydrogels could act as promising adsorbents for the successful recovery of toxic and other precious metals from e-waste.</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":"143109392","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}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信
小红书