Adsorption最新文献

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Thermo-chemical strategies to prepare biowaste derived activated carbon as metal adsorbent 制备用作金属吸附剂的生物废弃物衍生活性炭的热化学策略
IF 3 4区 工程技术
Adsorption Pub Date : 2024-09-29 DOI: 10.1007/s10450-024-00499-y
Adnan Irshad, Basharat Ali, Muhammad Imran, Muhammad Atif, Iftikhar Ahmed, Musinguzi Alex
{"title":"Thermo-chemical strategies to prepare biowaste derived activated carbon as metal adsorbent","authors":"Adnan Irshad,&nbsp;Basharat Ali,&nbsp;Muhammad Imran,&nbsp;Muhammad Atif,&nbsp;Iftikhar Ahmed,&nbsp;Musinguzi Alex","doi":"10.1007/s10450-024-00499-y","DOIUrl":"10.1007/s10450-024-00499-y","url":null,"abstract":"<div><p>Increasing apprehension about water pollution has stimulated the pursuit of sustainable remedies, resulting in an upsurge in scholastic investigations that focus on biobased material for wastewater treatment. Since ages adsorption through activated carbon (AC) has been considered a reliable method. This study has examined different surface chemistry techniques utilized in biobased ACs for pollutant absorption from wastewater. Successful creation of eco-friendly adsorbents, from natural biomaterials like plant-derived fibers, biopolymers, and biofunctionalized surfaces, has efficiently eliminated metallic contaminants from wastewater. ACs derived from plant wastes are a favorable choice due to cost-effectiveness, biodegradability, minimal sludge generation, high regression percentage, and efficient metal adsorption capabilities. In addition, this study highlights their ability to be scaled up, their affordability, and their positive impact on the environment. The field of surface chemistry of biobased materials is constantly evolving through interdisciplinary collaborations between chemists, materials scientists, and environmental engineers. This progress offers promising avenues for addressing the urgent challenges of water pollution and contributing to the development of a cleaner and healthier environment. This review compiles the latest literature on AC production from various biowaste sources, utilizing different methods such as physical, chemical, or thermochemical activation, ultrasonication, and oxidation. The focus is on its application in waste water treatment, specifically in metal adsorption.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"30 8","pages":"2135 - 2174"},"PeriodicalIF":3.0,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142595942","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
Composite waste-corn-stalk-derived carbon aerogel and sea-urchins γ-MnO2 structure for high-performance pseudo-capacitance deionization 用于高性能伪电容去离子的废玉米秆衍生碳气凝胶和海胆γ-MnO2 复合结构
IF 3 4区 工程技术
Adsorption Pub Date : 2024-09-26 DOI: 10.1007/s10450-024-00545-9
Minh Dai To, Hoang Anh Nguyen, Tuan Anh Dao, Thai Hoang Nguyen, Viet Hai Le, Thi Dieu My Phan, Minh Thuan Pham, Tan Le Hoang Doan, Thi Thu Trang Nguyen, Le Thanh Nguyen Huynh
{"title":"Composite waste-corn-stalk-derived carbon aerogel and sea-urchins γ-MnO2 structure for high-performance pseudo-capacitance deionization","authors":"Minh Dai To,&nbsp;Hoang Anh Nguyen,&nbsp;Tuan Anh Dao,&nbsp;Thai Hoang Nguyen,&nbsp;Viet Hai Le,&nbsp;Thi Dieu My Phan,&nbsp;Minh Thuan Pham,&nbsp;Tan Le Hoang Doan,&nbsp;Thi Thu Trang Nguyen,&nbsp;Le Thanh Nguyen Huynh","doi":"10.1007/s10450-024-00545-9","DOIUrl":"10.1007/s10450-024-00545-9","url":null,"abstract":"<div><p>This study reported the synthesis, characterization, and electrochemical performance of sea-urchins γ-MnO<sub>2</sub> structure and its composites with carbon aerogel (CA) derived from Waste-corn-stalk for capacitive deionization (CDI) application. Scanning electron microscopy revealed distinct sea-urchin morphologies where γ-MnO<sub>2</sub> exhibited a fibrous, porous structure, and its integration with CA resulted in composites with varied porosity and particle size distributions; X-ray diffraction analysis confirmed the crystalline nature of γ-MnO<sub>2</sub>. It indicated a successful composite formation with CA, which was observed to enhance the electrochemical performance via the synergistic charge storage effect. Cyclic voltammetry and charge-discharge tests showed that the composites, particularly CA/γ-MnO<sub>2</sub>-30, had superior electrochemical performance compared to γ-MnO<sub>2</sub> pristine, with improved capacitance and rate capabilities. CDI performance assessments demonstrated that the composite CA/γ-MnO<sub>2</sub>-30 significantly outperformed in salt adsorption capacity of 32.7 mg/g, highlighting the potential of these materials for efficient water desalination. The electrosorption kinetic process of CA/γ-MnO<sub>2</sub> composites is suitable for the pseudo-second-order (PSO) model by combining the double-layer adsorption and the pseudo-capacitance process.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"30 8","pages":"2069 - 2082"},"PeriodicalIF":3.0,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596075","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
Hydrochar-derived activated carbons from poplar and spruce sawdust: synthesis, characteristics and carbon adsorption performance 从杨树和云杉锯屑中提取的水炭活性炭:合成、特性和碳吸附性能
IF 3 4区 工程技术
Adsorption Pub Date : 2024-09-26 DOI: 10.1007/s10450-024-00542-y
Sibel Başakçılardan Kabakcı, Başak Karakurt Çevik, Merve Nazlı Borand, Kübra Al
{"title":"Hydrochar-derived activated carbons from poplar and spruce sawdust: synthesis, characteristics and carbon adsorption performance","authors":"Sibel Başakçılardan Kabakcı,&nbsp;Başak Karakurt Çevik,&nbsp;Merve Nazlı Borand,&nbsp;Kübra Al","doi":"10.1007/s10450-024-00542-y","DOIUrl":"10.1007/s10450-024-00542-y","url":null,"abstract":"<div><p>The escalating demand for energy across various sectors has led to a significant increase in greenhouse gas emissions, primarily due to the extensive use of fossil fuels. This study addresses the critical need for effective carbon capture adsorbents to mitigate environmental impacts. Bio-based activated carbons, known for their high surface area and pore volume, were synthesized from poplar and spruce sawdust through hydrothermal carbonization (HTC) followed by simultaneous carbonization and activation. HTC, aimed at enriching precursors with oxygen-rich surface functional groups, was conducted at temperatures of 180, 200, and 220 °C for 90 min. This process produced hydrochars that were subsequently activated at 800 °C in the presence of KOH under a nitrogen atmosphere. Remarkably, the activated carbons derived from poplar sawdust hydrochar (at a HTC temperature of 200 °C) and spruce sawdust hydrochar (at a HTC temperature of 220 °C) demonstrate superior specific surface areas of 1680.59 and 1231.57 m<sup>2</sup>/g, along with total pore volumes of 0.87 and 0.62 cm<sup>3</sup>/g, respectively. Moreover, both poplar and spruce hydrochar-based activated carbons exhibit high CO<sub>2</sub> adsorption capacities of 3.75 and 3.43 mmol/g, respectively, at 24.85 °C and 1 atm. Their CH<sub>4</sub> adsorption capacities are 1.52 and 1.42 mmol/g, respectively, under the same conditions. This work highlights the potential of bio-based activated hydrochars in applications such as indoor air quality improvement and industrial flue gas treatment, emphasizing the importance of pretreatment and activation conditions in optimizing adsorbent performance.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"30 8","pages":"2083 - 2098"},"PeriodicalIF":3.0,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596076","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
Brazilian clays as natural cation exchangers for copper sorption in a batch system 巴西粘土作为天然阳离子交换剂在间歇式系统中吸附铜
IF 3 4区 工程技术
Adsorption Pub Date : 2024-09-26 DOI: 10.1007/s10450-024-00543-x
Rafaela Reis Ferreira, Talles Barcelos da Costa, Rennan Felix da Silva Barbosa, Paulo Henrique Camani, Romualdo Rodrigues Menezes, Derval dos Santos Rosa
{"title":"Brazilian clays as natural cation exchangers for copper sorption in a batch system","authors":"Rafaela Reis Ferreira,&nbsp;Talles Barcelos da Costa,&nbsp;Rennan Felix da Silva Barbosa,&nbsp;Paulo Henrique Camani,&nbsp;Romualdo Rodrigues Menezes,&nbsp;Derval dos Santos Rosa","doi":"10.1007/s10450-024-00543-x","DOIUrl":"10.1007/s10450-024-00543-x","url":null,"abstract":"<div><p>This study evaluated Brazilian natural clays for copper sorption from water. Clays were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), Brunauer–Emmett–Teller (BET), and sorption tests. Affinity tests showed that brasgel (B, 69%), chocobofe (Cb, 46%), and chocolate (Ch, 41%) had higher Cu<sup>2+</sup> capture potential than zeolite (Z, 26%), palygorskite (P, 18%), treated palygorskite (TP, 11%), and cloisite 20A (C20A, 4%). The capture of Cu<sup>2+</sup> by clays and zeolite occurs with the release of light metal ions, especially Na<sup>+</sup>, Mg<sup>2+</sup> and Ca<sup>2+</sup>, which were initially present in the nanomaterials structure. The organomodification of clays possibly altered specific surface area, affecting Cu<sup>2+</sup> removal. Besides, the lamellae morphology of B, Cb, and Ch and their crystalline structure of smectites facilitated the metal ion removal. Next, B, Cb, and Ch clays were selected based on their affinity with Cu<sup>2+</sup> to investigate these systems’ sorption kinetics and equilibrium isothermal. The sorption kinetics showed that the equilibration time was reached within 120 min for all clays. The Pseudo-second order (PSOR) and External mass transfer resistance (EMTR) models effectively represented the kinetics data. The isothermal equilibrium revealed that the maximum uptake capacity for clays by Cu<sup>2+</sup> increased in the following order: B (0.264 mmol g<sup>−1</sup>) &gt; Cb (0.223 mmol g<sup>−1</sup>) &gt; Ch (0.177 mmol g<sup>−1</sup>). The isothermal curves better fit the Freundlich (B nanoclay) and Langmuir (Cb and Ch clays) models. The findings suggest that Brazilian clay nanostructures, particularly B, Cb, and Ch, are promising nanoadsorbents for removing bivalent copper ions from aqueous solutions.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"30 8","pages":"2113 - 2133"},"PeriodicalIF":3.0,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596103","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
An investigation into equilibrium, Kinetics, and thermodynamics of yellow bemacid dye removal from Aqueous Solutions using pomegranate skin (PG) and Date Pedicels (DPd) as Green Adsorbents 使用石榴皮(PG)和枣皮(DPd)作为绿色吸附剂从水溶液中去除黄色贝母酸染料的平衡、动力学和热力学研究
IF 3 4区 工程技术
Adsorption Pub Date : 2024-09-26 DOI: 10.1007/s10450-024-00546-8
Ghania Henini, Hifsa Khurshid, Ykhlef Laidani, Salah Henini, Saviour A. Umoren, Rami K. Suleiman, Mohammed Hadj Meliani
{"title":"An investigation into equilibrium, Kinetics, and thermodynamics of yellow bemacid dye removal from Aqueous Solutions using pomegranate skin (PG) and Date Pedicels (DPd) as Green Adsorbents","authors":"Ghania Henini,&nbsp;Hifsa Khurshid,&nbsp;Ykhlef Laidani,&nbsp;Salah Henini,&nbsp;Saviour A. Umoren,&nbsp;Rami K. Suleiman,&nbsp;Mohammed Hadj Meliani","doi":"10.1007/s10450-024-00546-8","DOIUrl":"10.1007/s10450-024-00546-8","url":null,"abstract":"<div><p>There has been substantial research focused on developing environmentally friendly materials to remove pollutants from wastewater. In this regard, a key study area is focused on green materials derived from plants and agricultural wastes. These materials have shown promising results in removing pollutants from water, providing a sustainable solution for wastewater treatment. Additionally, using plant-based materials has helped reduce reliance on traditional chemical-based methods, contributing to a more environmentally friendly approach. The current study investigated the efficacy of utilizing pomegranate skin (PG) and date pedicels (DPd) as potential green adsorbents for the elimination of synthetic dye Yellow Bemacid (YB) from aqueous solutions. The investigation involved adsorption tests conducted under various experimental conditions, such as contact time, solution pH, initial dye concentration, and temperature. The obtained findings manifested that both PG and PdD exhibited considerable adsorption capacities for YB, quantified at 20.75 mg/g and 12 mg/g, respectively. The Langmuir model exceptionally fit the experimental data, and the adsorption kinetics closely followed the pseudo-second-order model for both materials studied. The thermodynamic parameters unveiled that the adsorption of YB was a feasible, spontaneous, and endothermic process, with enthalpy (ΔH) values of 2.330 and 4.165 kJ/mol for PG and PdD, respectively. Furthermore, the favourable affinity between the materials PG, PdD, and the YB molecules was indicated by the positive values (0.010 and 0.014 kJ/mol.K ) of entropy (∆S<sup>0</sup>). Lastly, the negative values of the free enthalpies (∆G<sup>0</sup> &lt; 0) for the studied systems signified the spontaneity of the adsorption process.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"30 8","pages":"2099 - 2112"},"PeriodicalIF":3.0,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596104","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
Eco-friendly sorbents for petroleum and diesel based on macadamia nutshell waste in castor oil-based polyurethane foam for oil spill 基于蓖麻油基聚氨酯泡沫中的澳洲坚果壳废料的石油和柴油环保型溢油吸附剂
IF 3 4区 工程技术
Adsorption Pub Date : 2024-09-21 DOI: 10.1007/s10450-024-00541-z
Lana S. Maia, Thalita da Silva Neto, Júlia Dornelas Perluxo, Flávia Lima do Carmo, Derval S. Rosa, Daniella R. Mulinari
{"title":"Eco-friendly sorbents for petroleum and diesel based on macadamia nutshell waste in castor oil-based polyurethane foam for oil spill","authors":"Lana S. Maia,&nbsp;Thalita da Silva Neto,&nbsp;Júlia Dornelas Perluxo,&nbsp;Flávia Lima do Carmo,&nbsp;Derval S. Rosa,&nbsp;Daniella R. Mulinari","doi":"10.1007/s10450-024-00541-z","DOIUrl":"10.1007/s10450-024-00541-z","url":null,"abstract":"<div><p>Aquatic environments have faced significant and severe impacts in recent years due to oil spills and chemical leaks in oceanic and river ecosystems. Because of this, several studies have aimed to develop sustainable adsorbents with hydrophobic characteristics. This research focuses on creating eco-friendly sorbents using macadamia nutshell waste (MW) incorporated into castor oil-based polyurethane foam at different proportions (5, 10, 15, and 20 wt%). The study also evaluates the absorption efficiency of these sorbents for different oil types, including crude oils (crude oil CB, crude oil SB, diesel S10, and diesel S500). The eco-friendly sorbents (biocomposites) were characterized by optical microscopy, scanning electron microscopy, density, and contact angle analyses. Results revealed that the pore morphology of sorbents changed to a partial closed-cell structure with a smaller pore size. Additionally, the biocomposites exhibited a higher contact angle (119.1º ± 0.4) compared to pure polyurethane (PU). The oil absorption efficiency by biocomposites showed maximum sorption of 7.3, 7.1, 5.1, and 3.9 g.g<sup>−1</sup> for crude oils (SB and CB), S10, and S500 diesel, respectively. The absorption results showed that the biocomposites showed good removal of heavy oils (crude oil) compared to light oils (diesel S10 and S500). Among the isotherm models used, the Langmuir model demonstrated the most accurate fit and estimated a maximum adsorption capacity of 5.39, 4.23, 3.24, and 2.69 g.g<sup>−1</sup> for crude oil CB, crude oil SB, S10, and S500 diesel respectively, using PU + 20% MW. Additionally, PU + 20% MW showed excellent reusability during 30, 30, 30, and 10 cycles of sorption–desorption for crude oil CB, crude oil SB, S10, and S500 diesel, respectively.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"30 8","pages":"2037 - 2051"},"PeriodicalIF":3.0,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596023","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
Flash combustion prepared Sm and Co doped Sr hexaferrite for environmental applications 用于环境应用的闪燃制备掺杂 Sm 和 Co 的硒六价铁氧体
IF 3 4区 工程技术
Adsorption Pub Date : 2024-09-21 DOI: 10.1007/s10450-024-00532-0
Mai M. El-Masry, Rania Ramadan
{"title":"Flash combustion prepared Sm and Co doped Sr hexaferrite for environmental applications","authors":"Mai M. El-Masry,&nbsp;Rania Ramadan","doi":"10.1007/s10450-024-00532-0","DOIUrl":"10.1007/s10450-024-00532-0","url":null,"abstract":"<div><p>Nanotechnology is offering solutions to water contamination issues, as new techniques are needed to improve the removal of harmful compounds from water bodies. Despite previous reviews on this topic, nanotechnology is paving the way for more effective water treatment methods. Understanding the substitute influence of divalent Co<sup>2+</sup> and rare earth elements Sm<sup>3+</sup> on the structure, magnetic, and removal efficiency of hexagonal ferrites requires an understanding of a sequence of SrFe<sub>12</sub>O<sub>19</sub>, SrFe<sub>11.5</sub>Co<sub>0.5</sub>O<sub>19</sub>, Sr<sub>0.95</sub>Sm<sub>0.05</sub>Fe<sub>12</sub>O<sub>19</sub>, and Sr<sub>0.95</sub>Sm<sub>0.05</sub>Fe<sub>11.5</sub>Co<sub>0.5</sub>O<sub>19</sub> M-type hexagonal ferrites were prepared using the flash technique. The XRD examination revealed that the crystallized material formed a single M-type hexagonal phase. The characteristics of M-type hexagonal ferrites include absorption bands with low wavenumbers in the FTIR curves between 400 to 1000 cm<sup>−1</sup>. There was a variation in magnetic characteristics with the replacement of Sm<sup>3+</sup> and Co<sup>2+</sup> doping, possibly due to the spin canting impact created by rare earth Sm<sup>3+</sup> and Co<sup>2+</sup> ions. The goal of the research is to explore the potential of doping magnetic hexaferrites and its influence in wastewater treatment. Various parameters, such as pH and contact duration, that influence the adsorption of lead ions from aqueous solutions were also examined. At pH 7 and 25 °C after 70min, the maximal removal efficiency of the Sr<sub>0.95</sub>Sm<sub>0.05</sub>Fe<sub>11.5</sub>Co<sub>0.5</sub>O<sub>19</sub> was found to be 99%. Magnetic separation was carried out by applying an external magnetic field using a permanent magnet. The strong magnetization of the ferrites (51–58 emu/g) enabled the rapid separation of the magnetic particles from the solution, with over 95% of the ferrite particles being recovered within 10 to 70 min. The Freundlich isotherm model fitted all the isotherm data. Adsorption kinetics were explained by the pseudo-first-order, pseudo-second order, and intraparticle diffusion models. The investigated samples’ adsorption capacity remained efficient till 5 cycles.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"30 8","pages":"2017 - 2035"},"PeriodicalIF":3.0,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-024-00532-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596025","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 the potential of quinacridone-porphyrin-based materials for nitrogen oxides sensing: quantum chemical design, mechanism and future prospects 探索喹吖啶酮-卟啉基材料在氮氧化物传感方面的潜力:量子化学设计、机理和未来前景
IF 3 4区 工程技术
Adsorption Pub Date : 2024-09-21 DOI: 10.1007/s10450-024-00536-w
Yaqoob Shah, Muhammad Tahir Hussain, Asim Mansha, Muhammad Ramzan Saeed Ashraf Janjua
{"title":"Exploring the potential of quinacridone-porphyrin-based materials for nitrogen oxides sensing: quantum chemical design, mechanism and future prospects","authors":"Yaqoob Shah,&nbsp;Muhammad Tahir Hussain,&nbsp;Asim Mansha,&nbsp;Muhammad Ramzan Saeed Ashraf Janjua","doi":"10.1007/s10450-024-00536-w","DOIUrl":"10.1007/s10450-024-00536-w","url":null,"abstract":"<div><p>Nitrogen oxides (NOx) are posing significant environmental risks. A nonmetallic 9-cyano quinacridone-porphyrin-based sensor is designed for their detection. This sensor demonstrates commendable sensitivity towards all forms of NOx. Nudged elastic band (Bouzineb et al. (2023) J Mol Model 29:365) method Transit/ Quadratic Synchronous Transit (QST) method / Linear Synchronous Transit QST method (LST) is applied to study the activation energy barrier for sensor to sense NOx. Optimal distances between NOx molecules and the porphyrin sensor are determined. Assessment of activation energy and adsorption energy values provide crucial insights into the sensor’s aptitude for sensitivity. Remarkably, adsorption energy (E<sub>ad</sub>) values for NO, NO<sub>2</sub>, N<sub>2</sub>O<sub>3</sub>, N<sub>2</sub>O<sub>4</sub>, N<sub>2</sub>O<sub>5</sub> are found to be − 0.01, − 0.78, − 7.29, − 2.75, − 3.02 eV, respectively. Non-covalent interactions (NCI) analysis presents weak attraction in the blue region and van der Waals interaction in the green region. The sensor’s swift recovery time (τ) within the range of 10<sup>−12</sup> further underscores its potential for prompt response. An exploration of the sensor’s energy gap, recovery time, and adsorption energy values elucidates its sensitivity towards different NOx species. These are crucial factors in environmental monitoring. Furthermore, a detailed exploration of the sensing mechanism enhances comprehension of molecular interactions, showcasing the sensor’s potential as an effective tool for environmental monitoring and remediation. It will be used in wrist watches, and automobiles to sense nitrogen oxides (NOx).</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"30 8","pages":"2053 - 2067"},"PeriodicalIF":3.0,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596028","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
Toward reliable prediction of CO2 uptake capacity of metal–organic frameworks (MOFs): implementation of white-box machine learning 金属有机框架(MOFs)二氧化碳吸收能力的可靠预测:白盒机器学习的实现
IF 3 4区 工程技术
Adsorption Pub Date : 2024-09-21 DOI: 10.1007/s10450-024-00531-1
Aydin Larestani, Ahmadreza Jafari-Sirizi, Fahimeh Hadavimoghaddam, Saeid Atashrouz, Dragutin Nedeljkovic, Ahmad Mohaddespour, Abdolhossein Hemmati-Sarapardeh
{"title":"Toward reliable prediction of CO2 uptake capacity of metal–organic frameworks (MOFs): implementation of white-box machine learning","authors":"Aydin Larestani,&nbsp;Ahmadreza Jafari-Sirizi,&nbsp;Fahimeh Hadavimoghaddam,&nbsp;Saeid Atashrouz,&nbsp;Dragutin Nedeljkovic,&nbsp;Ahmad Mohaddespour,&nbsp;Abdolhossein Hemmati-Sarapardeh","doi":"10.1007/s10450-024-00531-1","DOIUrl":"10.1007/s10450-024-00531-1","url":null,"abstract":"<div><p>The burning of fossil fuels is the major cause of the surge in atmospheric CO<sub>2</sub> concentration. The unique properties of Metal–organic frameworks (MOFs) have made them a highly promising and efficient class of materials for gas adsorption projects. In this piece of research, white-box machine learning algorithms, including gene expression programming (GEP), group method of data handling (GMDH), and genetic programming (GP), are implemented to generate reliable and efficient explicit correlations for estimating CO<sub>2</sub> uptake capacity of MOFs based on the most extensive databank gathered up-to-date containing 6530 data points from 88 different MOFs. The CO<sub>2</sub> uptake capacity is considered a strong function of pressure, temperature, surface area, and pore volume. The results indicated that the GMDH correlation could provide more reliable results by showing total root mean square error (RMSE) and correlation coefficient (R<sup>2</sup>) of 2.77 mmol/g and 0.8496, respectively. Also, the trend analysis reflected that this correlation could precisely detect the physical trend of CO<sub>2</sub> uptake capacity with pressure variations. Moreover, the sensitivity analysis showed the high impact of pressure on the estimated CO<sub>2</sub> uptake capacity values. Based on the sensitivity analysis of the GMDH correlation’s estimations, it can be expected that the CO<sub>2</sub> adsorption capacity of MOFs increases by raising MOFs’ surface area and pore volume and designing the adsorption process at elevated pressures and lower temperatures. The proposed correlation can be simply employed to estimate MOFs’ CO<sub>2</sub> uptake capacity with an acceptable level of confidence using a simple calculator.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"30 8","pages":"1985 - 2003"},"PeriodicalIF":3.0,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596027","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
Enhanced removal of cationic dye DRMD using cellulose-graphene oxide composite: kinetics, mechanism and optimization 利用纤维素-氧化石墨烯复合材料提高阳离子染料 DRMD 的去除率:动力学、机理与优化
IF 3 4区 工程技术
Adsorption Pub Date : 2024-09-21 DOI: 10.1007/s10450-024-00538-8
Joyanta Palit, Sadit Bihongo Malitha, Md. Abu Sayid Mia, Md. Zahangir Alam
{"title":"Enhanced removal of cationic dye DRMD using cellulose-graphene oxide composite: kinetics, mechanism and optimization","authors":"Joyanta Palit,&nbsp;Sadit Bihongo Malitha,&nbsp;Md. Abu Sayid Mia,&nbsp;Md. Zahangir Alam","doi":"10.1007/s10450-024-00538-8","DOIUrl":"10.1007/s10450-024-00538-8","url":null,"abstract":"<div><p>Millions of tons of dyes are released into water bodies each year, most of which are azo dyes and pose a threat to soil and water ecosystems. This article introduces a simple sol–gel technique for producing a composite of Cellulose-Graphene oxide (CGO) beads as an adsorbent with outstanding adsorption efficiency for a commercial textile dye, Doracryl Red MD (DRMD). The crystal phases, functional groups, thermal stability, and morphology of GO, Cellulose, and CGO beads were extensively studied using various characterization methods, including XRD, FTIR, FESEM, and TGA. The adsorption process was optimized for different pH levels, dosages, initial dye concentrations, and contact times. The adsorption process followed Freundlich adsorption isotherm and Pseudo-second-order kinetics. CGO adsorbent demonstrated a maximum adsorption capacity of 577.874 mg/g, indicating its potential for eliminating organic contaminants from wastewater.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"30 8","pages":"1971 - 1984"},"PeriodicalIF":3.0,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596024","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
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