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Experimental analysis and machine learning modeling of CO2 and CH4 gas hydrate phase equilibria with quaternary ammonium salts 季铵盐对CO2和CH4气体水合物相平衡的实验分析和机器学习建模
Pub Date : 2025-12-01 Epub Date: 2025-11-12 DOI: 10.1016/j.jil.2025.100180
Aliyu Adebayo Sulaimon , Ali Qasim , Bhajan Lal , Muhammad Saad Khan
The study investigates the hydrate liquid vapor equilibrium HLVE experimentally at concentrations of 1, 5, and 10 wt % for tetramethylammonium acetate, tetraethylammonium acetate, and their mixtures with the commercially used thermodynamic hydrate inhibitor, monoethylene glycol (MEG). The experimental pressure range for CO2 hydrates is from 2.0 to 3.50 MPa, while the pressure range for CH4 hydrates varies between the values of 3.40 to 8.30 MPa. A Gaussian Process Regression (GPR) based machine learning model has also been developed to predict the hydrate liquid vapor equilibrium (HLVE) of CO2 and CH4 hydrate formation for quaternary ammonium salts (QAS). This analysis suggests kernel optimization of the GPR. With an R2 value of 0.9 and an RMSE value of 0.031, the optimized model has strong predictability using the concentration of QAS, pressure, and temperature as inputs. The results of the model are correlated with the experimental outcome, and the predicted results are in fair accordance with the results of the experiment.
该研究对四甲基乙酸铵、四乙基乙酸铵以及它们与商业上使用的热力学水合物抑制剂单乙二醇(MEG)的混合物在浓度为1、5和10 wt %时的水合物液相平衡进行了实验研究。CO2水合物的实验压力范围为2.0 ~ 3.50 MPa, CH4水合物的实验压力范围为3.40 ~ 8.30 MPa。建立了一种基于高斯过程回归(GPR)的机器学习模型,用于预测季铵盐(QAS)中CO2和CH4水合物形成的水合物液汽平衡(HLVE)。该分析建议对探地雷达进行核优化。优化模型的R2值为0.9,RMSE值为0.031,以QAS浓度、压力和温度为输入,具有较强的可预测性。模型计算结果与实验结果具有较好的相关性,预测结果与实验结果吻合较好。
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引用次数: 0
Quantifying green innovation: A bibliometric analysis of deep eutectic solvents and applications as eco-friendly solvents 量化绿色创新:深共晶溶剂的文献计量学分析及其作为环保溶剂的应用
Pub Date : 2025-12-01 Epub Date: 2025-07-18 DOI: 10.1016/j.jil.2025.100165
Muhammad Nawaz , Muhammad Irfan , Khadija Zahra , Humbul Suleman , Mohamad Azmi Bustam , Abdulhalim Shah Maulud
Deep eutectic solvents (DESs) have emerged as a promising class of green solvents, with various advantages over traditional organic solvents and ionic liquids. This study presents a comprehensive bibliometric analysis of research trends and developments in applying DES as eco-friendly solvents. Using data from the Web of Science database, 2,262 research articles were analyzed from 2009 to 2023. The analysis reveals a significant increase in DES-related publications, growing from fewer than 20 articles per year in 2011 to more than 500 articles annually by 2023, reflecting the rising interest in this green chemistry field. Geographical and institutional distribution was assessed using a novel performance metric, the Research Impact Score (RIS), which integrated total publications, citations, citations per publication, and h-index. China is the leading contributor, with 863 publications and 28,944 citations with RIS of 0.86. Mjalli, Farouq S., from Sultan Qaboos University, Oman, leads in total publications (38) and total citations (3,166) with an outstanding RIS of 0.91. Universiti Malaya, Malaysia, emerges as the most balanced and impactful institution with a high publication output (49), the highest total citations (3,741), and a leading RIS of 0.98. "Journal of Molecular Liquids" emerged as the most active publishing source related to DES research, with 205 articles. Moreover, DESs demonstrated superior extraction efficiency, particularly in bioactive compounds such as phenolics and flavonoids. These findings underscore the innovative potential of DESs in advancing sustainable chemical practices and providing valuable insights into future research directions, aiming to further develop and apply DESs across various scientific and industrial fields.
深共晶溶剂(DESs)具有传统有机溶剂和离子液体所无法比拟的诸多优点,是一种极具发展前景的绿色溶剂。本研究对DES作为环保溶剂的研究趋势和发展进行了全面的文献计量学分析。利用Web of Science数据库的数据,分析了2009年至2023年期间的2262篇研究论文。分析显示,与des相关的出版物显著增加,从2011年的每年不到20篇增加到2023年的每年500多篇,反映了对这一绿色化学领域的兴趣日益浓厚。地理和机构分布的评估使用了一种新的绩效指标——研究影响评分(RIS),该指标综合了总出版物、引用、每篇出版物的引用和h指数。中国是主要贡献者,发表了863篇论文,引用28,944次,RIS为0.86。阿曼苏丹卡布斯大学的Mjalli, Farouq S.在总发表量(38篇)和总引用量(3166篇)方面领先,RIS为0.91。马来西亚的马来亚大学(Universiti Malaya)是最平衡、最具影响力的大学,其发表量高(49),总引用量最高(3,741),RIS最高(0.98)。《Journal of Molecular liquid》是与DES研究相关的最活跃的出版来源,有205篇文章。此外,DESs在生物活性化合物(如酚类化合物和类黄酮)的提取中表现出优异的效率。这些发现强调了DESs在推进可持续化学实践方面的创新潜力,并为未来的研究方向提供了有价值的见解,旨在进一步开发和应用DESs在各个科学和工业领域。
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引用次数: 0
Efficient and economical three-component synthesis of pyrano[2,3-d]thiazol derivatives using deep eutectic solvent 用深度共熔溶剂高效经济地合成吡喃[2,3-d]噻唑衍生物
Pub Date : 2025-06-01 Epub Date: 2025-05-29 DOI: 10.1016/j.jil.2025.100157
Fatemeh Mohammad , Najmedin Azizi , Zohreh Mirjafari , Javad Mokhtari
Deep eutectic solvents (DESs), a promising class of ionic liquids, have emerged as versatile and sustainable media for organic synthesis due to their unique physicochemical properties. In this study, we report an efficient and practical one-pot, three-component protocol for the synthesis of substituted pyrano[2,3-d]thiazoles using aromatic aldehydes, malononitrile, and thiazolidinediones in DES. The methodology offers several advantages, including operational simplicity, broad substrate scope, shorter reaction times, and good to excellent yields. Importantly, the DES serves both as a solvent and a catalyst, providing a cost-effective and environmentally friendly alternative to conventional methods. Furthermore, the DES system demonstrates excellent recyclability, maintaining its catalytic performance and product yields over seven consecutive cycles. This approach highlights the potential of DESs as green media for the development of sustainable synthetic transformations.
深共晶溶剂(DESs)是一类很有前途的离子液体,由于其独特的物理化学性质,已成为有机合成的通用和可持续的介质。在这项研究中,我们报告了一种高效实用的一锅三组分方案,用于在DES中使用芳香醛、丙二腈和噻唑烷二酮合成取代吡喃[2,3-d]噻唑。该方法具有操作简单、底物范围广、反应时间短、收率高等优点。重要的是,DES既可以作为溶剂,也可以作为催化剂,为传统方法提供了一种经济、环保的替代方案。此外,DES系统表现出优异的可回收性,在连续七个循环中保持其催化性能和产品收率。这一方法突出了发展中经济环境作为发展可持续综合转变的绿色媒介的潜力。
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引用次数: 0
Phase equilibrium and kinetic studies of choline chloride-based deep eutectic solvents in water system for the inhibition of methane gas hydrate formation 氯胆碱型深共晶溶剂在水体系中抑制甲烷水合物形成的相平衡及动力学研究
Pub Date : 2025-06-01 Epub Date: 2024-11-20 DOI: 10.1016/j.jil.2024.100127
Aliyu Adebayo Sulaimon , Ali Qasim , Mohamad Athif , Asiah Nusaibah Masri , Pearl Isabellah Murungi , Aneel Jordan Atthi Tasan Singh
Gas hydrates in subsea pipelines can lead to blockages, potentially causing explosions, and Deep Eutectic Solvents (DESs) offer an alternative to traditional chemical inhibitors or can minimize their usage when mixed with other chemicals. The thermodynamic hydrate inhibition (THI) and kinetic hydrate inhibition (KHI) behavior of two DESs i.e., choline chloride (ChCl) solution with glycerol and ethylene glycol are investigated using Micro Differential Scanning Calorimetry (μ-DSC). The DES-in-water systems were prepared by diluting the prepared DES in water. The difference between water-in-DES and DES-in-water systems is based on the extent of dilution. For DES-in-water systems, the water is in higher concentration and DES is a minor component. Whereas, water-in-DES systems involve adding a small amount of water to a DES. This can disrupt the hydrogen bonding network within the DES, leading to changes in its physical and chemical properties. The concentration of the DES solution was 10 and 15 wt% and the study was performed in-between the pressure range of 6.32–13.27 MPa while the Hydrate-Liquid-Vapor-Equilibrium (HLVE) temperature lies between the range of 281.4–290 .1K. Both compounds acted as thermodynamic and kinetic hydrate inhibitors for methane gas hydrates. HLVE was calculated for five pressure values. THI results show that the average depression temperature (ADT) of ChCl: Ethylene glycol is 1.47 K which is higher than the ADT achieved by ChCl: glycerol of 0.50 K at 10 wt%. Also, regarding kinetic hydrate inhibition, ChCl: Ethylene glycol showed better performance than ChCl: glycerol. The highest induction time attained by ChCl: Ethylene glycol is 1.5 h at 14.1 bar while for ChCl: glycerol, it is 1.2 h at the same pressure. Thermodynamic hydrate modeling for methane hydrates was also performed using the Dickens and Quinby-Hunt model. It showed an overall Mean Absolute error (MAE) value of 0.26 K while for the ChCl: Ethylene Glycol system, the MAE value is 0.32 K. The R2 value was higher than 0.90 for both systems, proving the model's good fit. DESs have the potential to be applied in practical flow assurance applications due to their environmentally benign properties. The work is novel as it investigates the use of DESs for methane hydrate inhibition at high pressure along with the thermodynamic modeling.
海底管道中的天然气水合物可能会导致堵塞,并可能导致爆炸,而深共晶溶剂(DESs)是传统化学抑制剂的替代选择,或者在与其他化学品混合时可以最大限度地减少其使用。采用微差扫描量热法(μ-DSC)研究了氯化胆碱(ChCl)与甘油和乙二醇溶液的热力学水合物抑制(THI)和动力学水合物抑制(KHI)行为。将制备好的DES在水中稀释,制备了DES-in-water体系。水- des和des -水中系统的区别是基于稀释程度。对于DES-in-water系统,水中浓度较高,DES成分较少。然而,水-DES系统涉及到向DES中加入少量水,这可能会破坏DES内的氢键网络,导致其物理和化学性质的变化。DES溶液的浓度为10%和15%,压力范围为6.32 ~ 13.27 MPa,水-液-气平衡温度范围为281.4 ~ 290.1 k。这两种化合物都是甲烷天然气水合物的热力学和动力学水合物抑制剂。计算了五个压力值的HLVE。THI结果表明,ChCl:乙二醇的平均降温(ADT)为1.47 K,高于ChCl:甘油在10 wt%时的平均降温(ADT)为0.50 K。此外,在动力学水合物抑制方面,ChCl:乙二醇的性能优于ChCl:甘油。ChCl:乙二醇在14.1 bar下的最高诱导时间为1.5 h,而ChCl:甘油在相同压力下的最高诱导时间为1.2 h。采用Dickens和Quinby-Hunt模型对甲烷水合物进行了热力学水合物建模。总体平均绝对误差(MAE)值为0.26 K,而ChCl:乙二醇体系的MAE值为0.32 K。两个系统的R2值均大于0.90,证明模型拟合良好。由于其对环境无害的特性,DESs具有在实际流动保障应用中应用的潜力。这项工作是新颖的,因为它研究了DESs在高压下对甲烷水合物的抑制作用以及热力学建模。
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引用次数: 0
Amino Acid Deep Eutectic Solvents (AADES) in Oil Purification: An Overview of Properties, Applications, and Future Directions 氨基酸深度共晶溶剂(AADES)在油净化中的性能、应用及未来发展方向
Pub Date : 2025-06-01 Epub Date: 2025-03-15 DOI: 10.1016/j.jil.2025.100143
Muhamad Iqbal Ishak , Asiah Nusaibah Masri , Azad Anugerah Ali Rasol , Izni Mariah Ibrahim , Hasrinah Hasbullah
Amino Acid Deep Eutectic Solvents (AADES) are emerging as a promising sustainable alternative to conventional organic solvents, particularly in oil purification processes. This review explores the unique properties of AADES, including their environmental benefits, biocompatibility, and high extraction efficiency. Given the limited availability of published studies specifically on AADES for oil purification, this work references research on deep eutectic solvents (DES) containing amino acids, as well as DES with mechanisms that could be applicable to AADES. The article highlights the potential role of AADES in enhancing oil purification techniques, offering a greener and more efficient approach to industrial applications. However, challenges remain, particularly regarding their scalability, long-term stability, and the lack of direct comparative studies with traditional solvents. By integrating insights from existing DES studies, this review underscores the need for further research to optimize AADES formulations for specific contaminants and improve their performance in large-scale applications. Additionally, understanding the mechanisms governing their interactions with biomolecules and oil-based contaminants is crucial for advancing their industrial viability. Addressing these gaps will support the broader adoption of AADES, contributing to more sustainable and effective oil purification processes while promoting environmental conservation efforts.
氨基酸深度共晶溶剂(AADES)正在成为传统有机溶剂的一种有前途的可持续替代品,特别是在石油净化过程中。本文综述了AADES的独特特性,包括其环境效益、生物相容性和高提取效率。鉴于专门针对AADES用于油脂净化的已发表研究有限,本工作参考了含有氨基酸的深度共晶溶剂(DES)的研究,以及适用于AADES的机制DES的研究。文章强调了AADES在提高油净化技术方面的潜在作用,为工业应用提供了一种更环保、更有效的方法。然而,挑战仍然存在,特别是在可扩展性、长期稳定性以及缺乏与传统溶剂的直接比较研究方面。通过整合现有DES研究的见解,本综述强调需要进一步研究以优化特定污染物的AADES配方,并提高其在大规模应用中的性能。此外,了解其与生物分子和油基污染物相互作用的机制对于提高其工业可行性至关重要。解决这些差距将有助于更广泛地采用AADES,促进更可持续、更有效的石油净化工艺,同时促进环境保护工作。
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引用次数: 0
Hexavalent chromium removal using chitin microspheres modified by an ionic liquid cation tricaprylmethylammonium chloride (Aliquat 336) 离子液体阳离子三丙基甲基氯化铵修饰甲壳素微球去除六价铬
Pub Date : 2025-06-01 Epub Date: 2025-04-17 DOI: 10.1016/j.jil.2025.100151
Salima Benniche , Ounissa Senhadji-Kebiche , Ariana Pintor , Claudia Fontas
A novel sorbent was successfully developed by immobilizing the ionic liquid tricaprylylmethylammonium chloride (Aliquat 336) into chitin, a natural and renewable polysaccharide. The sorbent was comprehensively characterized using SEM, BET, TGA, FTIR and DRX techniques, and its performance was evaluated for the removal of Cr(VI) from aqueous solutions. The effects of key physicochemical parameters—including pH, stirring time, initial Cr(VI) concentration, and sorbent dosage—were systematically investigated. The sorbent demonstrated high selectivity performance and efficiency for Cr(VI) removal, highlighting a maximum adsorption capacity of 35 mg/g, which is 20 times greater than that of native chitin, at an optimum pH of 2. Interference studies with coexisting ions confirmed the robustness of the sorbent to remove Cr(VI) under competitive conditions. Effective desorption was achieved with a 0.1 M NaOH solution, allowing for 80 % metal recovery within 1 hour of contact. Additionally, the sorbent exhibited remarkable stability over five cycles, maintaining its high adsorption capacity without significant loss in performance.
This study underscores the potential of the new sorbent as a sustainable and efficient material for Cr(VI) remediation, combining high adsorption capacity, reusability, and eco-friendly design.
将离子液体三丙基甲基氯化铵(Aliquat 336)固定为天然可再生多糖甲壳素,制备了一种新型吸附剂。采用SEM、BET、TGA、FTIR和DRX等技术对该吸附剂进行了综合表征,并对其去除水溶液中Cr(VI)的性能进行了评价。系统考察了pH、搅拌时间、初始Cr(VI)浓度和吸附剂用量等关键理化参数的影响。在最佳pH为2的条件下,吸附量达到35 mg/g,是天然几丁质吸附量的20倍。与共存离子的干扰研究证实了在竞争条件下吸附剂去除Cr(VI)的稳健性。在0.1 M的NaOH溶液中实现了有效的解吸,在接触1小时内可以回收80%的金属。此外,该吸附剂在5次循环中表现出显著的稳定性,保持了较高的吸附容量而性能没有明显损失。该研究强调了新型吸附剂作为一种可持续和高效的Cr(VI)修复材料的潜力,该材料具有高吸附容量,可重复使用和环保设计。
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引用次数: 0
Cetyl pyridinium chloride-amino acid-based ionic liquids: Synthesis, characterization, and physicochemical properties by FT-IR, UV–visible, density, conductivity, viscosity, surface tension, and contact angle studies 十六烷基氯代吡啶-氨基酸基离子液体:合成、表征和物理化学性质,通过FT-IR、紫外可见、密度、电导率、粘度、表面张力和接触角研究
Pub Date : 2025-06-01 DOI: 10.1016/j.jil.2025.100158
Rohit Kumar Dev , Shiv Narayan Yadav , Pawan Shah , Nisha Magar , Srijana Ghimire , Mahima Koirala , Ashok Kumar Das , Sujit Kumar Shah , Ramesh L. Gardas , Ajaya Bhattarai
The ionic liquids (ILs) are gaining much attention because of their many special properties, including highly solvating, tunable, non-flammable, and reusable extractants. In the current study, a novel set of room-temperature ILs based on the active compound Cetyl Pyridinium Chloride - Amino Acid ([CetPyl] [AA]) where ionic liquids have been successfully synthesized and characterized by both spectral (FT-IR and UV-visible), and physiochemical (density, surface tension, contact angle, molar free energy, conductivity, viscosity, and pH) properties. The structure of both organic and inorganic compounds is analyzed by FT-IR and UV-visible spectra of pure Al-ILs, Me-ILs, and Val-ILs showed strong absorbance peaks at 215 nm, 270 nm, and 270 nm, respectively. The alanine anion (Al-) has the highest hydrogen bond-accepting character due to its unhindered carboxylate group, making it more accessible for hydrogen bonding. The conductivity of Al-ILs increases from 17.46 mS/cm at 298.15 K to 50.90 mS/cm at 343.15 K, representing an almost threefold increase. Similarly, Me-ILs and Val-ILs show significant increases in conductivity over the same temperature range. The conductivity order (Al-ILs > Val-ILs > Me-ILs) is consistent with the structural differences in the amino acids. Val-ILs have the highest viscosity (9.976 Ns/m²) among the three. The trend in viscosity is: Al-ILs < Me-ILs < Val-ILs. The pH of Al-ILs, Me-ILs, and Val-ILs decreases with increasing temperature, reflecting differences in their structural and chemical behavior. Al-ILs exhibited the most stable pH. Me-ILs showed significant pH sensitivity, while Val-ILs showed a unique non-monotonic trend of variation, suggesting complex interactions at higher temperatures.
离子液体因其高溶剂化、可调、不易燃和可重复使用的萃取剂等特性而受到广泛关注。在目前的研究中,一组基于活性化合物十六烷基氯吡啶-氨基酸([CetPyl] [AA])的新型室温离子液体已经成功合成,并通过光谱(FT-IR和uv -可见)和物理化学(密度、表面张力、接触角、摩尔自由能、电导率、粘度和pH)性质进行了表征。纯al- il、me - il和val - il的FT-IR和uv -可见光谱分别在215 nm、270 nm和270 nm处有很强的吸光度峰。丙氨酸阴离子(Al-)由于其羧酸基不受阻碍而具有最高的氢键接受性,使其更容易形成氢键。al - il的电导率从298.15 K时的17.46 mS/cm增加到343.15 K时的50.90 mS/cm,几乎增加了三倍。同样,在相同的温度范围内,me - il和val - il的电导率也有显著的提高。电导率阶(Al-ILs >;Val-ILs祝辞me - il)与氨基酸的结构差异一致。其中val - il粘度最高,为9.976 Ns/m²。粘度变化趋势为:Al-ILs <;Me-ILs & lt;Val-ILs。al- il、me - il和val - il的pH值随温度升高而降低,反映了它们结构和化学行为的差异。Al-ILs表现出最稳定的pH值,Me-ILs表现出显著的pH敏感性,而Val-ILs表现出独特的非单调变化趋势,表明在高温下相互作用复杂。
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引用次数: 0
Navigating ice-free Horizons: A Review on the Role of Ionic liquids and Deep eutectic solvents in Anti-icing Technologies 导航无冰视野:离子液体和深共晶溶剂在防冰技术中的作用综述
Pub Date : 2025-06-01 Epub Date: 2025-03-06 DOI: 10.1016/j.jil.2025.100139
Saba Goharshenas Moghadam, Gelareh Momen, Reza Jafari
This review investigates the unexplored potential of ionic liquids (ILs) and deep eutectic solvents (DESs) as innovative solutions for advancing anti-icing technologies, particularly in harsh sub-freezing conditions, with a focus on coating applications. Despite limited exploration, ILs and DESs stand out due to their remarkable properties—low melting points, excellent hydrogen-bond donor capabilities, thermal stability, and the formation of quasi-liquid layers that drastically reduce ice adhesion. While research on IL-based coatings for ice mitigation is still in its infancy, the promising synergy between DESs and ILs paves the way for creating highly effective ice-resistant surfaces. DESs, recognized for their eco-friendly and straightforward preparation, have been primarily studied for anti-freezing resilience, leaving their potential as ice growth inhibitors largely unexplored. This review presents DESs as effective ice growth inhibitors and highlights their synergistic combination with ILs, functioning as dynamic interface melting agents, for enhanced ice mitigation performance. Furthermore, the review consolidates current studies, emphasizing the need for further investigation into ILs and DESs for combating ice formation. It also proposes future research directions, such as exploring diverse IL chemistries, enhancing the stability of ILs, and investigating novel matrix materials to improve mechanical durability. The review provides a broad perspective on integrating these materials into various industrial and environmental applications, offering fresh insights into their transformative potential in anti-icing systems.
本文综述了离子液体(ILs)和深度共晶溶剂(DESs)作为推进防冰技术的创新解决方案的潜力,特别是在恶劣的亚冷冻条件下,重点是涂层应用。尽管勘探有限,但ILs和DESs因其显著的特性而脱颖而出——低熔点、出色的氢键供体能力、热稳定性,以及形成的准液态层大大减少了冰的粘附性。虽然基于il的减冰涂层的研究仍处于起步阶段,但DESs和il之间有希望的协同作用为创造高效的抗冰表面铺平了道路。DESs以其环保和简单的制备而闻名,主要研究其抗冻弹性,而其作为冰生长抑制剂的潜力在很大程度上尚未得到开发。这篇综述介绍了DESs是有效的冰生长抑制剂,并强调了它们与ILs的协同作用,作为动态界面融化剂,增强了冰的减缓性能。此外,本报告总结了目前的研究,强调有必要进一步研究ILs和DESs对抗冰的形成。提出了未来的研究方向,如探索不同的IL化学成分,增强IL的稳定性,研究新型基质材料以提高机械耐久性。该综述为将这些材料整合到各种工业和环境应用中提供了广阔的视角,为其在防冰系统中的变革潜力提供了新的见解。
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引用次数: 0
Understanding the affinity of Cyphos Nitrate for Zr(IV) over other metal ions present in simulated high level liquid waste compositions 了解硝酸菌对模拟高浓度废液成分中Zr(IV)与其他金属离子的亲和力
Pub Date : 2025-06-01 Epub Date: 2025-01-22 DOI: 10.1016/j.jil.2025.100134
Alok Rout , S. Sriram , N. Ramanathan
The presence of Zr(IV) in the spent nuclear fuel (SNF) is an hindrance for a smooth and safe reprocessing of actinides and other fission products. The separation of Zr(IV) from nitric acid feed through solvent extraction route is a challenging task as far as its aqueous chemistry and the selectivity of the proposed extractants for it is concerned. In this context, we employed a strongly hydrophobic and sustainable quarternary alkyl phosphonium-based ionic liquid (IL): Tri(hexyl)tetradecylphosphonium nitrate ([P66614][NO3]) (or cyphos nitrate) for the extraction of Zr(IV) from a broad range of acidic feed and evaluated the feasibility of its selective separation from a Fast Reactor Simulated High Level Liquid Waste (FR-SHLLW) solution (Burn up: 80 GWd/Te). The extraction factor of [P66614][NO3] was compared with that observed in other classes of ILs in their undiluted condition. The efficient extraction of Zr(IV) without any additional ligand in IL phase by adopting simple complexation mechanism infers the novelty of [P66614][NO3]. High asymmetricity and bulkiness of IL cation enables more freedom to its anion (NO3-) to coordinate with Zr(IV), thereby realizing high extraction factors as compared to other ILs having different cations (or anions). The novelty was further clarified from the notable extraction efficiency by consuming very less IL volume (low IL to aqueous phase ratio). The radiation stability of cyphos nitrate was affirmed from the extraction factors at different exposed doses. The uniqueness of [P66614][NO3] for Zr(IV) over the co-extracting Pd(II) was assured using an aqueous soluble complexing agent for the later to be trapped in the raffinate phase of SHLLW solution. At end, a schematic flow-sheet was proposed for selective separation of Zr(IV) from SHLLW solution.
废核燃料(SNF)中Zr(IV)的存在阻碍了锕系元素和其他裂变产物的顺利和安全后处理。溶剂萃取法从硝酸进料中分离Zr(IV)是一项具有挑战性的任务,涉及到它的水化学性质和所提出的萃取剂的选择性。在此背景下,我们采用了一种强疏水性和可持续的四烷基磷基离子液体(IL):三(己基)十四烷基硝酸磷([P66614][NO3])(或硝酸硫)从各种酸性饲料中提取Zr(IV),并评估了其从快堆模拟高放废液(FR-SHLLW)溶液(燃烧:80 GWd/Te)中选择性分离的可行性。比较了[P66614][NO3]在未稀释条件下与其他类il的提取率。采用简单的络合机制,在IL相中不添加任何配体的情况下,有效地提取Zr(IV),由此推断出[P66614][NO3]的新颖性。IL阳离子的高不对称性和体积使得其阴离子(NO3-)与Zr(IV)的配位更加自由,从而实现了比其他不同阳离子(或阴离子)的IL更高的萃取因子。通过消耗非常少的IL体积(低IL与水相比)显著的萃取效率,进一步阐明了其新颖性。从提取因子的角度确定了不同辐照剂量下硝酸磷的辐射稳定性。用一种水溶性络合剂保证了[P66614][NO3]对Zr(IV)在共萃取Pd(II)中的唯一性,使后者被困在SHLLW溶液的萃余相中。最后,提出了从SHLLW溶液中选择性分离Zr(IV)的工艺流程图。
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引用次数: 0
Graphene oxide based [EMIM]Cl ionanofluids in a tube and their heat transfer, and friction factor analyses under high Prandtl numbers: Experimental and ANN predictions 管内基于氧化石墨烯的[EMIM]Cl离子流体及其在高普朗特数下的传热和摩擦因子分析:实验和人工神经网络预测
Pub Date : 2025-06-01 Epub Date: 2025-03-19 DOI: 10.1016/j.jil.2025.100144
L. Syam Sundar
In this study, the stable Graphene Oxide (GO) ionanofluids were prepared and investigated the thermophysical properties, heat transfer coefficient, and friction factor experimentally. These ionanofluids were prepared by dispersing the synthesized GO into the ionic liquid of 1-ethyl-3-methylimidazolium chloride [EMIM]Cl in the weight percentages of 0.05 %, 0.1 %, 0.3 % and 0.5 %, respectively. The obtained experimental data of Reynolds number, and weight percentage was used as input parameters, and heat transfer coefficient, Nusselt number, and friction factor was used as output parameters for the Artificial Neural Network- Scaled Conjugate Gradient (ANN-SCG) analysis. The results indicated that, the thermal conductivity is enhanced by 26.39 % at a temperature of 60°C, and the viscosity enhancement of 30.44 % at a temperature of 30°C, and at 0.5 % weight percentage. The results were also indicated that, the Nusselt number, heat transfer coefficient is enhanced by 32.27 %, and 41.96 %, with a friction factor penalty of 14.04 % at 0.5 % weight percentage and at a Reynolds number of 297.4, respectively, over base fluid. The ANN-SCG results are almost predicts high accuracy when compared with the experimental data. The correlation coefficient (R2) of Nusselt number, heat transfer coefficient, and friction factor are 0.9815, 0.9812, and 0.9918, respectively. Using the experimental data, a new Nusselt number and friction factor correlations were proposed.
本研究制备了稳定的氧化石墨烯(GO)离子流体,并对其热物理性质、传热系数和摩擦系数进行了实验研究。将合成的氧化石墨烯分别以0.05%、0.1%、0.3%和0.5%的质量分数分散到1-乙基-3-甲基咪唑氯离子液体[EMIM]Cl中,制备了这些离子流体。以获得的实验数据雷诺数、重量百分比作为输入参数,传热系数、努塞尔数和摩擦系数作为输出参数,进行人工神经网络-尺度共轭梯度(ANN-SCG)分析。结果表明,在温度为60℃时,导热系数提高了26.39%;在温度为30℃时,粘度提高了30.44%;结果还表明,在0.5%的重量百分比和297.4的雷诺数下,基液上的努塞尔数和换热系数分别提高了32.27%和41.96%,摩擦系数损失14.04%。与实验数据相比,ANN-SCG结果具有较高的预测精度。Nusselt数、换热系数和摩擦系数的相关系数R2分别为0.9815、0.9812和0.9918。利用实验数据,提出了一种新的努塞尔数与摩擦因数的关系。
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Journal of Ionic Liquids
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