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Application of photocatalytic hydrogels used for the degradation of dyes, pharmaceuticals and other contaminants in water 光催化水凝胶用于降解水中的染料、药物和其他污染物
IF 3 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-02-21 DOI: 10.1007/s10450-025-00602-x
Luis Hernandez Monroy, Jason Robert Tavares, Marie-Josée Dumont

Various types of pollutants, including dyes, pharmaceuticals, heavy metals, and other contaminants, pose significant risks for aquatic species and humans. Photocatalytic hydrogels (PCHs), which synergistically combine adsorption and photocatalysis, offer a promising solution by combining the adsorption and photodegradation of these contaminants under UV or visible light. Photocatalysts such as TiO2, ZnO, Ag, Bi, and non-metallic catalysts can be incorporated into diverse hydrogel matrices, providing flexibility for designing PCHs tailored to specific applications. This review explores the synthesis, properties, and performance of various PCHs, with a focus on their ability to adsorb and/or degrade contaminants such as dyes (e.g., methylene blue, methyl orange, rhodamine B), pharmaceuticals (e.g., tetracycline, ciprofloxacin, 17 estradiol), biological contaminants (e.g., algal blooms), and heavy metals (e.g., Cr (VI)). Additionally, the recyclability of PCHs is addressed. PCHs represent a versatile and eco-friendly approach to advancing water remediation technologies.

各种类型的污染物,包括染料、药物、重金属和其他污染物,对水生物种和人类构成重大风险。光催化水凝胶(PCHs)将吸附和光催化协同作用结合起来,在紫外线或可见光下将这些污染物的吸附和光降解结合起来,提供了一种很有前途的解决方案。光催化剂如TiO2, ZnO, Ag, Bi和非金属催化剂可以结合到不同的水凝胶基质中,为设计适合特定应用的PCHs提供了灵活性。本文综述了各种PCHs的合成、性质和性能,重点介绍了它们吸附和/或降解污染物的能力,如染料(如亚甲基蓝、甲基橙、罗丹明B)、药物(如四环素、环丙沙星、17雌二醇)、生物污染物(如藻华)和重金属(如铬(VI))。此外,还讨论了PCHs的可回收性。PCHs代表了一种多功能和环保的方法来推进水修复技术。
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引用次数: 0
Harnessing durian seed and shell waste-derived activated carbon for effective aqueous phenol removal 利用榴莲籽和榴莲壳废弃物衍生活性炭有效去除水中苯酚
IF 3 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-02-09 DOI: 10.1007/s10450-025-00606-7
Pilasinee Limsuwan, Jutharat Pongpai, Doungporn Yiamsawas, Wiwut Tanthapanichakoon, Kreangkrai Maneeintr, Jirawat Trakulmututa, Assadawoot Srikhaow, Siwaporn Meejoo Smith, Keiko Sasaki, Chitiphon Chuaicham

This work aimed to synthesize and characterize activated carbon derived from durian wastes, a substantial agricultural by-product in Thailand, with a focus on its efficacy in aqueous phenol removal. The activated carbon derived from durian seed (AC-DSE) and activated carbon derived from durian shell (AC-DSH) was prepared using phosphoric acid (H3PO4) as the activating agent, subsequently, carbonization occurred under a nitrogen atmosphere. The synthesized samples underwent comprehensive characterization. In phenol removal, the adsorption performance of the AC-DSE was notable, achieving a phenol removal efficiency of around 90% within 180 min, employing 0.1 g of AC-DSE for 20 ml of aqueous phenol solution (initial concentration: 10 mg/l). Compared with AC-DSH and a commercial activated carbon, the obtained AC-DSE exhibited the highest phenol removal due to high specific surface area of 2,054 m2/g, with an average pore size of 3.85 nm, micro, and mesopore volumes of 1.43 and 2.27 cm3/g, respectively. Moreover, the adsorption behaviour followed to the Langmuir model, while the experimental data closely aligned with the pseudo-second-order kinetic model. These findings emphasize the potential of activated carbon derived from durian waste as a sustainable adsorbent for organic removal from wastewater.

本研究旨在合成和表征从榴莲废料中提取的活性炭,榴莲废料是泰国一种重要的农业副产品,重点研究其去除水中苯酚的效果。以磷酸(H3PO4)为活化剂制备榴莲籽活性炭(AC-DSE)和榴莲壳活性炭(AC-DSH),并在氮气气氛下进行炭化。合成的样品进行了全面的表征。在苯酚的去除中,AC-DSE的吸附性能显著,在0.1 g AC-DSE对20 ml苯酚水溶液(初始浓度为10 mg/l)的180 min内,苯酚的去除效率达到90%左右。与AC-DSH和商用活性炭相比,AC-DSE具有最高的苯酚去除率,其比表面积高达2054 m2/g,平均孔径为3.85 nm,微孔和中孔体积分别为1.43和2.27 cm3/g。此外,吸附行为符合Langmuir模型,而实验数据与伪二级动力学模型密切相关。这些发现强调了从榴莲废物中提取的活性炭作为一种可持续的吸附剂从废水中有机去除的潜力。
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引用次数: 0
Advances in ammonia (NH3) adsorption and storage: materials, mechanisms, and applications 氨(NH3)吸附和储存的研究进展:材料、机理和应用
IF 3 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-02-09 DOI: 10.1007/s10450-025-00601-y
Yang He, Bin Guan, Zhongqi Zhuang, Junyan Chen, Lei Zhu, Zeren Ma, Xuehan Hu, Chenyu Zhu, Sikai Zhao, Kaiyou Shu, Hongtao Dang, Tiankui Zhu, Zhen Huang

Ammonia (NH3), a noxious gas, not merely poses a threat to human beings but also serves as a significant hydrogen carrier. The matter related to its emission is naturally highly deserving of people’s meticulous attention and in-depth research. Taking into account the substantial harm that ammonia inflicts upon the environment and the human body, the storage of ammonia is indisputably an inevitable aspect in the course of green development. Simultaneously, ammonia finds extensive applications and serves as an indispensable raw material for numerous fertilizers, food, explosives, and even medicines. When employed as a fuel, ammonia boasts numerous advantages, rendering it a widely utilized and highly promising gas. Therefore, the storage of ammonia is extremely worthy of profound exploration. Currently, the principal ammonia treatment technologies comprise adsorption, absorption, catalytic conversion, biological treatment, and plasma treatment. The research and development of adsorption materials constitutes the crucial link in ammonia gas adsorption, and the storage materials for ammonia are also highly diverse. This paper integrates a considerable number of various literatures and experiments from multiple perspectives to furnish a comprehensive summary of the current research and achievements in ammonia adsorption and desorption. The materials involved mainly consist of some metal chlorides, metal oxides, zeolites, and MOF materials. Metal chlorides are highly prone to forming amide complexes with ammonia. Metal oxides are a type of compounds composed of metal elements and oxygen elements, which are typically highly stable in nature and have wide-ranging applications in various fields. Research on the utilization of metal oxides as ammonia adsorbents has consistently been a focus for scholars in different countries. The microporous structure of zeolite is extremely well-developed, which results in an exceptionally high specific surface area. This high specific surface area provides a considerable amount of contact space for molecules, thereby significantly enhancing the adsorption efficiency of the adsorbent.

Graphical abstract

氨(NH3)是一种有害气体,不仅对人类构成威胁,而且还是重要的氢载体。与它的排放有关的问题自然是非常值得人们关注和深入研究的。考虑到氨对环境和人体造成的巨大危害,氨的储存无疑是绿色发展的必然环节。同时,氨有广泛的用途,是许多肥料、食品、炸药甚至药品不可缺少的原料。当用作燃料时,氨具有许多优点,使其成为一种广泛利用和极具前景的气体。因此,氨的储存是非常值得深入探索的。目前,主要的氨处理技术包括吸附、吸收、催化转化、生物处理和等离子体处理。吸附材料的研究与开发是合成气吸附的关键环节,合成气的储存材料也多种多样。本文综合了大量的各种文献和实验,从多个角度对氨吸附与解吸的研究现状和成果进行了全面的总结。所涉及的材料主要包括一些金属氯化物、金属氧化物、沸石和MOF材料。金属氯化物极易与氨形成酰胺配合物。金属氧化物是一类由金属元素和氧元素组成的化合物,在自然界中具有典型的高稳定性,在各个领域有着广泛的应用。利用金属氧化物作为氨吸附剂的研究一直是各国学者关注的热点。沸石的微孔结构极为发达,具有极高的比表面积。这种高比表面积为分子提供了相当大的接触空间,从而显著提高了吸附剂的吸附效率。图形抽象
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引用次数: 0
Experimental demonstration of humid post-combustion CO2 capture by vacuum swing adsorption using CALF-20 CALF-20真空摇摆吸附法捕集湿后燃烧CO2的实验论证
IF 3 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-02-09 DOI: 10.1007/s10450-025-00600-z
Tai T. T. Nguyen, George K. H. Shimizu, Arvind Rajendran

Calgary Framework 20 (CALF-20) is a metal-organic framework deployed for industrial post-combustion CO2 capture. This work explores capturing CO2 from a humid stream using CALF-20. A four-step vacuum swing adsorption (VSA) cycle incorporating a light product pressurization step was examined. Two columns packed with structured CALF-20 were used to perform VSA experiments over a wide range of relative humidity (RH) values (13%, 25%, 45% and 70% RH). Key process performance indicators, purity, recovery and productivity were measured and compared with the dry case basis. At low to intermediate relative humidity (13-45% RH), the difference between the dry and the wet VSA cycle was minimal. The purity and recovery were approximately 95% and 71% in Case Study 1, and 92% and 81% in Case Study 2, respectively. The temperature and composition histories were similar to the dry. At high relative humidity (70% RH), while CALF-20 could still achieve similar purity, recovery and productivity, reaching low pressure during the evacuation step was difficult due to the water condensation. Each experiment was run for several days (hundreds of cycles) to confirm the long-term stability of the material. CALF-20 also showed good cyclic durability; minimal loss in the CO2 capacity from the used CALF-20 sample (~ 10,000 cycles) was observed.

卡尔加里框架20 (CALF-20)是一个用于工业燃烧后二氧化碳捕获的金属有机框架。这项工作探讨了使用CALF-20从潮湿的溪流中捕获二氧化碳。研究了包含轻产品加压步骤的四步真空摆动吸附(VSA)循环。采用结构化CALF-20填充的两个色谱柱,在较宽的相对湿度(RH)值(13%、25%、45%和70% RH)范围内进行VSA实验。测量了关键工艺性能指标,纯度,回收率和生产率,并与干案例进行了比较。在低至中等相对湿度(13-45% RH)下,干湿VSA循环之间的差异很小。案例研究1的纯度和回收率分别约为95%和71%,案例研究2的纯度和回收率分别约为92%和81%。温度和成分历史与干燥的相似。在高相对湿度(70% RH)条件下,CALF-20仍能达到相似的纯度、回收率和生产率,但由于冷凝水的存在,在疏散步骤中难以达到低压。每个实验都进行了几天(数百个周期),以确认材料的长期稳定性。CALF-20也表现出良好的循环耐久性;使用的CALF-20样品的CO2容量损失最小(~ 10,000次循环)。
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引用次数: 0
Biogenic nanoparticle based adsorption for chromium contaminated wastewater treatment 纳米颗粒生物吸附法处理含铬废水
IF 3 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-02-09 DOI: 10.1007/s10450-025-00603-w
S. K. Nath, R. R. Dash, G. Nath

The discharge of chromium-contaminated wastewater from industries such as ferrochrome plants and leather manufacturing poses a significant environmental challenge due to the toxic and carcinogenic properties of Chromium [Cr(VI)]. Nanoparticles have emerged as one of the most effective solutions for wastewater treatment due to their high surface area, enhanced reactivity, and ability to target specific contaminants. In recent years, their eco-friendly synthesis, scalability, and efficiency in removing heavy metals and other pollutants have made them vital in addressing environmental challenges, particularly in industrial wastewater management. Their unique properties make them indispensable in modern wastewater treatment technologies. This study explores the application of biogenically synthesized titanium dioxide (TiO₂) for removal of Cr(VI) from synthetic wastewater. Lemon grass leaf extracts has been used as potential precursor in synthesis of TiO₂ nanoparticles from readily available micro size particles of TiO2 powder. The process was further enhanced by ultrasonic assistance, which promoted the formation of uniformly dispersed nanoparticles with high surface area, improving their adsorption. Experimental techniques, such as X-ray Diffraction, have been utilized to confirm the biogenic synthesis of TiO2 nanoparticles, demonstrating a size reduction from 10 μm to 35.79 nm. The nanoparticles demonstrated excellent Cr(VI) removal efficiency, achieving 84.55% reduction under optimal conditions. Among the various adsorption isotherm models, the Freundlich model proved to be the best fit, with an R² value exceeding 0.997. This method not only leverages sustainable synthesis processes but also offers potential scalability for industrial applications in waste water treatment.

由于铬的毒性和致癌性[Cr(VI)],铬铁厂和皮革制造业等工业排放的铬污染废水对环境构成了重大挑战。纳米颗粒由于其高表面积、增强的反应性和针对特定污染物的能力,已成为污水处理最有效的解决方案之一。近年来,它们的环保合成、可扩展性和去除重金属和其他污染物的效率使它们在应对环境挑战,特别是在工业废水管理方面至关重要。其独特的性能使其在现代废水处理技术中不可或缺。本研究探讨了生物合成二氧化钛(TiO 2)去除合成废水中Cr(VI)的应用。以柠檬草叶提取物为前驱体,制备了TiO2纳米颗粒。超声辅助进一步增强了该过程,促进了高表面积、均匀分散的纳米颗粒的形成,提高了其吸附性能。利用x射线衍射等实验技术证实了TiO2纳米颗粒的生物合成,表明其尺寸从10 μm减小到35.79 nm。在最佳条件下,纳米颗粒对Cr(VI)的去除率达到84.55%。在各种吸附等温线模型中,Freundlich模型拟合效果最好,其R²值超过0.997。这种方法不仅利用了可持续的合成过程,而且为废水处理的工业应用提供了潜在的可扩展性。
{"title":"Biogenic nanoparticle based adsorption for chromium contaminated wastewater treatment","authors":"S. K. Nath,&nbsp;R. R. Dash,&nbsp;G. Nath","doi":"10.1007/s10450-025-00603-w","DOIUrl":"10.1007/s10450-025-00603-w","url":null,"abstract":"<div><p>The discharge of chromium-contaminated wastewater from industries such as ferrochrome plants and leather manufacturing poses a significant environmental challenge due to the toxic and carcinogenic properties of Chromium [Cr(VI)]. Nanoparticles have emerged as one of the most effective solutions for wastewater treatment due to their high surface area, enhanced reactivity, and ability to target specific contaminants. In recent years, their eco-friendly synthesis, scalability, and efficiency in removing heavy metals and other pollutants have made them vital in addressing environmental challenges, particularly in industrial wastewater management. Their unique properties make them indispensable in modern wastewater treatment technologies. This study explores the application of biogenically synthesized titanium dioxide (TiO₂) for removal of Cr(VI) from synthetic wastewater. Lemon grass leaf extracts has been used as potential precursor in synthesis of TiO₂ nanoparticles from readily available micro size particles of TiO<sub>2</sub> powder. The process was further enhanced by ultrasonic assistance, which promoted the formation of uniformly dispersed nanoparticles with high surface area, improving their adsorption. Experimental techniques, such as X-ray Diffraction, have been utilized to confirm the biogenic synthesis of TiO<sub>2</sub> nanoparticles, demonstrating a size reduction from 10 μm to 35.79 nm. The nanoparticles demonstrated excellent Cr(VI) removal efficiency, achieving 84.55% reduction under optimal conditions. Among the various adsorption isotherm models, the Freundlich model proved to be the best fit, with an R² value exceeding 0.997. This method not only leverages sustainable synthesis processes but also offers potential scalability for industrial applications in waste water treatment.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 2","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373203","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
Synthesis of novel Chitosan-Tannic acid adsorbent for removal of Aluminum (III) from wastewater: characterisation, kinetics, equilibrium isotherms and thermodynamic studies 新型壳聚糖-单宁酸吸附剂的合成去除废水中的铝(III):表征,动力学,平衡等温线和热力学研究
IF 3 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-02-09 DOI: 10.1007/s10450-025-00604-9
Hari Mohan Meena, Shrikant Kukreti, P. S. Jassal

This study efficiently removed aluminum from commercial wastewater by using different doses of the novel chitosan-tannic acid (CT1, CT3, and CT6) bio-materials adsorbent. The Al3+ ions were determined using 797 VA anodic linear sweep voltammetry Computrace. The research examined the adsorption kinetics, adsorption isotherms, and the effect of the solution flow rate. The Freundlich isotherms precisely represented the adsorption results, with a maximum adsorption capacity of adsorbent was 684.93 mg/g. The experimental results showed that the adsorption of aluminum was maximum when solution concentrations were up to 200 mg/L. The findings indicated that the chitosan-tannic acid biomaterials primarily followed a complexation-adsorption method, exhibiting maximum adsorption capacity at pH 6.5. The study investigated the BET adsorption–desorption isotherm and evaluated the adsorption efficacy of adsorbents. Consequently, this novel, sustainable chitosan-tannic acid complex might be a successful bio-adsorbent for removing aluminum metal ions from wastewater solutions.

采用不同剂量的新型壳聚糖-单酸(CT1、CT3和CT6)生物吸附剂对工业废水中的铝进行了高效脱除。采用797伏安阳极线性扫描伏安法测定Al3+离子。研究了吸附动力学、吸附等温线以及溶液流速的影响。Freundlich等温线准确表征了吸附结果,吸附剂的最大吸附量为684.93 mg/g。实验结果表明,当溶液浓度达到200 mg/L时,对铝的吸附量最大。结果表明,壳聚糖-单宁酸生物材料主要遵循络合-吸附方式,在pH 6.5时吸附量最大。研究了BET吸附-脱附等温线,并评价了吸附剂的吸附效果。因此,这种新型的、可持续的壳聚糖-单宁酸配合物可能是一种成功的生物吸附剂,用于去除废水中的铝金属离子。
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引用次数: 0
Tailoring mesoporous ferrocene-modified activated carbon for phenol removal in wastewater 定制介孔二茂铁改性活性炭去除废水中的苯酚
IF 3 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-02-09 DOI: 10.1007/s10450-024-00591-3
Khathutshelo C. Mqehe-Nedzivhe, Babatope O. Ojo, Nonhlangabezo Mabuba

This study investigates the adsorption capacity (qmax) of synthesized ferrocene-modified activated carbon (AC-H3PO4/Fe7S8) for the removal of phenol in wastewater. The structural and morphological features of the synthesized composite were determined using FTIR, BET, XRD, and SEM. With an average pore size of 59.127 nm, AC-H3PO4/Fe7S8 composite achieved 98% removal efficiency of phenol at optimal conditions comprising adsorbent dosage of 0.3 g, contact time of 120 min, pH of 4, and concentration of 50 mg/L. The Freundlich isotherm model displayed R² values of 0.9965 and 0.9955, while the evaluated maximum adsorption capacities were 9.15 and 13.32 mg/g for AC-H3PO4 and AC-H3PO4/Fe7S8 respectively. The adsorption kinetics was also fitted into a Pseudo second-order kinetic model with a rate constant of 0.10462 min−1 at optimal conditions. The thermodynamics parameters suggested that the reaction was spontaneous and endothermic with increased randomness. The findings describe the synthesized AC-H3PO4/Fe7S8 composite as a promising adsorbent for the removal of phenol wastewater treatment.

研究了合成的二茂铁改性活性炭(AC-H3PO4/Fe7S8)对废水中苯酚的吸附量(qmax)。采用FTIR、BET、XRD、SEM等手段对合成的复合材料进行了结构和形态表征。AC-H3PO4/Fe7S8复合材料在吸附剂用量为0.3 g、接触时间为120 min、pH = 4、浓度为50 mg/L的条件下,平均孔径为59.127 nm,对苯酚的去除率为98%。Freundlich等温模型的R²值分别为0.9965和0.9955,AC-H3PO4和AC-H3PO4/Fe7S8的最大吸附量分别为9.15和13.32 mg/g。在最佳条件下,吸附动力学符合准二级动力学模型,速率常数为0.10462 min−1。热力学参数表明该反应为自发的吸热反应,随机性增大。研究结果表明,合成的AC-H3PO4/Fe7S8复合材料是一种很有前途的去除苯酚废水的吸附剂。
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引用次数: 0
Innovative adsorbent for sulphur dioxide: synergy of activated carbon, polyionic liquids, and chitosan 创新的二氧化硫吸附剂:活性炭、多离子液体和壳聚糖的协同作用
IF 3 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-02-09 DOI: 10.1007/s10450-025-00605-8
Abdul Wahab, Amjad Farooq, Faisal Faiz, Ali shan, Mehwish Tahir, Mashkoor Ahmad, Rokayya Sami, Jianghua Wu, Yasir Faiz

In response to the growing threat of pollution and its adverse effects on human health, a novel and innovative method for preparing SO₂ adsorbents has been developed. The present study introduces a unique approach that combines activated carbon (AC), chitosan (CS), and polyionic liquids (PILs) to create highly effective composite adsorbents. Incorporating 4%, 7%, and 10% by weight of butyl and octyl PILs into the composite beads led to a significant enhancement in SO₂ adsorption capabilities. The PILs were synthesized through direct polymerization and meticulously characterized using Fourier transform infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA), confirming their successful synthesis and high thermal stability. The activated carbon was effectively impregnated with the PILs, and the resulting composite beads were shaped into CS beads. Gas adsorption studies revealed that the AC-CS-PIL beads impregnated with butyl and octyl PILs nearly doubled the adsorption capacity compared to raw activated carbon. Notably, the 10% octyl AC-CS-PIL composite exhibited the highest breakthrough time of 37.08 min and an impressive adsorption capacity of 445 mg/g, which is 2.4 times greater than that of raw AC. These results highlight the promising potential of this innovative adsorbent in effectively combating pollution and improving air quality.

为了应对日益严重的污染威胁及其对人类健康的不利影响,开发了一种新的制备SO₂吸附剂的创新方法。本研究介绍了一种独特的方法,将活性炭(AC)、壳聚糖(CS)和多离子液体(pil)结合在一起,制备出高效的复合吸附剂。在复合微珠中加入4%、7%和10%重量的丁基和辛基颗粒,可显著增强对SO₂的吸附能力。采用直接聚合法制备了该聚合物,并利用傅里叶红外光谱(FTIR)和热重分析(TGA)对其进行了详细的表征,证实了该聚合物的成功合成和高热稳定性。将其有效浸渍在活性炭上,得到的复合微珠成型为CS微珠。气体吸附研究表明,与原料活性炭相比,浸渍丁基和辛基pil的AC-CS-PIL珠的吸附容量几乎增加了一倍。值得注意的是,10%辛烷基AC- cs - pil复合材料的突破时间最长,为37.08 min,吸附量为445 mg/g,是原料AC的2.4倍。这些结果凸显了这种创新吸附剂在有效对抗污染和改善空气质量方面的巨大潜力。
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引用次数: 0
Statistical physics quantification of steric, energetic and thermodynamic adsorption attributes of methylene blue onto sodium styreneSulfonate-co-dimethylacrylamide super-adsorbent hydrogel for water detoxification 亚甲基蓝在苯乙烯磺酸钠-二甲基丙烯酰胺超吸附剂水凝胶上的空间、能量和热力学吸附特性的统计物理量化
IF 3 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-02-04 DOI: 10.1007/s10450-025-00596-6
Fatma Aouaini, Kods Oueslati, Amin Naifar, Beriham Basha, Abdelmottaleb Ben Lamine

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 ((varepsilon_{1}) = 15.73 kJ/mol and (varepsilon_{2}) = 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.

通过统计物理建模方法,利用基于大正则系综的四种不同模型进行了详细的理论审查,以拟合亚甲基蓝在苯乙烯磺酸钠-二甲基丙烯酰胺(nas - dma)水凝胶表面的吸附等温线。在温度和浓度的共同作用下,考察了立体成像和热力学指标。吸附过程最好地描述为双峰-能量连接单层场景,涉及两个位点和能量((varepsilon_{1}) = 15.73 kJ/mol和(varepsilon_{2}) = 17.85 kJ/mol),并在T = 295 K下进行多分子吸附过程(n1 = 8.383和n2 = 2.5967)。立体讨论表明,吸附质的位置是不平行的,但在同一受体位点上可以连接更多的实体。吸附反应为放热反应,当浓度超过95 mg/L时,吸附量随加热条件的增加而显著减少。更重要的是,所研究的连接过程主要是由弱范德华力(能量低于45 kJ/mol)驱动的,而吉布斯自由能的负值证实了它的自发性。这些结果支持了一个强大的数学框架的发展,该框架可以准确地预测亚甲基蓝在nas - dma水凝胶表面上的去除效率,从而更深入地了解所涉及的纳米级表面连接。这些发现可以通过使用超吸附性水凝胶有效地转化为水处理和环境解毒的实际应用。通过利用其优化的立体、能量和热力学性质,这些水凝胶表现出卓越的吸附效率,能够从污染的水系统中去除亚甲基蓝等有害污染物。它们的高吸附能力,加上稳定性和可重复使用性,使它们成为污水处理厂和工业废水管理大规模应用的理想选择。最后,它们与现有的水净化技术的兼容性允许无缝集成到当前的系统中,为解决水污染挑战提供了一个具有成本效益,可持续和可扩展的解决方案。
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引用次数: 0
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 Q3 CHEMISTRY, PHYSICAL 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

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.

本文对钙钛矿太阳能电池进行了详细的数值分析,通过系统的参数变化来优化其光伏性能。研究了吸收层厚度、带隙调谐、金属背触点和界面层性能等关键参数对器件性能的影响。优化后的器件结构功率转换效率为29.39%,填充系数为85.54%,短路电流密度为28.37 mA/cm2,开路电压为1.21 V。该研究强调了这些参数在提高量子效率、电流-电压特性和整体器件稳定性方面的关键作用。这些发现为材料选择和设备工程提供了科学框架,为高性能钙钛矿太阳能电池的设计和制造铺平了道路,并为可持续能源技术的发展做出了贡献。
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Adsorption
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