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通过简单加热1-乙基-3-甲基咪唑硫酸乙酯（EMIES）离子液体和3-苯丙酸（C9H10O2）的混合物,制备了一系列酸性低共熔溶剂EMIES/nC9H10O2（n=0.25,0.5,1,2,4）。通过FTIR,1H NMR和TGA的表征,确定EMIES/nC9H10O2的结构。以该低共熔溶剂为催化剂和萃取剂,H2O2为氧化剂,组成氧化-萃取脱硫体系,用于脱除模拟油中的硫化物。考察了原料配比、反应温度、氧硫比（O/S）、低共熔溶剂加入量和不同硫化物对脱硫性能的影响。结果表明,在EMIES和C9H10O2摩尔比为1∶1,反应温度为50℃,O/S比为8,低共熔溶剂加入量为1.5 g和模拟油5 ml的反应条件下,二苯并噻吩、4,6-二甲基二苯并噻吩和苯并噻吩的脱除率分别为94.8%、91.6%和46.4%。低共熔溶剂可循环使用6次,活性无明显下降。此外,对该氧化-萃取脱硫体系的脱硫机理进行了探讨。 相似文献
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Ternary deep eutectic solvents (TDESs) as media are used to extract two flavonoids from Ginkgo biloba. The influence factors of extraction efficiency such as types of TDESs, concentrations of TDESs, solid/liquid ratio, and extraction methods have been investigated. The optimal composition of TDESs is synthesized with choline chloride, oxalic acid, and ethylene glycol (n/n/n, 1/1/3). The extraction of flavonoids is optimized using water-TDESs (50 vol% TDES in water-TDESs) as solvents in heating process (60°C) for 30 min at solid/liquid ratio of 1:10 g/mL. Under this condition, extraction yields of quercetin and myricetin are 1.40 and 1.11 mg/g, respectively. 相似文献
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在吗啉盐酸盐和双氰胺组成的深共融溶剂体系的条件下,以吗啉、浓盐酸、双氰胺为原料通过缩合反应合成盐酸吗啉双胍。讨论反应温度、时间、反应物摩尔比等因素对盐酸吗啉双胍合成收率的影响,重点考察深共融溶剂体系组分间不同摩尔比对体系熔点的影响,以及研究产物的分离和纯化的方法。研究结果表明:在由吗啉盐酸盐和双氰胺组成的深共融溶剂体系的条件下以吗啉、浓盐酸、双氰胺为原料通过缩合反应合成盐酸吗啉双胍的方法简单,产品易于分离。吗啉盐酸盐/双氰胺(mol)为1.0∶0.8和1.0∶1.8时,深共融溶剂体系熔点为48℃。通过对影响因素的考察,找到了使用该法合成盐酸吗啉双胍的最佳合成条件:缩合反应温度为140℃;最佳反应时间为3h;物料配比(mol)为1∶0.8。 相似文献
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疏水深共熔溶剂因制备简单、低毒性、高热稳定性及高生物降解性,被认为是传统有毒有害有机溶剂和离子液体的潜在替代品。其良好的疏水性、高度可调的物理化学特性及其对有机和无机化合物的优异溶解能力,可满足许多工业应用需求。疏水深共熔溶剂通过静电作用、离子交换和氢键的协同作用,实现了对目标物的高效分离、定向催化和改性。该文总结了疏水深共熔溶剂的结构组成及其性能影响因素,综述了疏水深共熔溶剂在分离提取、污染物去除、生物催化、材料改性及食品安全检测中的研究进展。疏水深共熔溶剂能够通过结构组成变化实现溶剂特性的定向调控,在宽pH范围内高选择性地提取了各种目标成分,简化了催化和改性的工艺过程,其高度的循环稳定性极大地减少了溶剂消耗量,在绿色化学工艺中展现出可替代传统溶剂的巨大潜力。但疏水深共熔溶剂各组分间的协同机制尚不明晰,仍需在后续研究中进一步阐明其作用机理,以期实现疏水深共熔溶剂的精准定制及高效应用。 相似文献
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Fabiane O. Farias Caroline Marques Jaqueline N. H. Fragoso Aline Theodoro Toci Marcos R. Mafra Luciana Igarashi-Mafra 《加拿大化工杂志》2023,101(4):2189-2198
Deep eutectic solvents (DES) were evaluated as a sustainable route to obtain bioactive compounds from Eugenia uniflora L. leaves (EUL). Completely randomized experimental designs determined the process conditions. The DES composed of cholinium chloride as hydrogen bond acceptor (HBA) and lactic acid, glycerol, or 1,2-propanediol as hydrogen bond donor (HBD) showed the best extraction capacity. The better conditions were 150 min, 65°C, and a solid:liquid ratio of 1:30. The major constituents of the extracts, quantified by high-performance liquid chromatography (HPLC), were naringin and caffeic acid. Moreover, the DES promoted a preservative effect on the EUL extracts against thermal treatments. All extracts exhibited high antioxidant and antiglycation activities and iron-chelating potential. Moreover, when lactic acid was the HBD, the extracts showed considerable antibacterial activity. Therefore, it was effectively proposed as an effective and green route to obtain extracts with potential applications in the food, cosmetic, and pharmaceutical industries. 相似文献
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Patrycja Mako -Che&#x;stowska Edyta S&#x;upek Aleksandra Kramarz Jacek G&#x;bicki 《International journal of molecular sciences》2021,22(17)
During biogas combustion, siloxanes form deposits of SiO2 on engine components, thus shortening the lifespan of the installation. Therefore, the development of new methods for the purification of biogas is receiving increasing attention. One of the most effective methods is physical absorption with the use of appropriate solvents. According to the principles of green engineering, solvents should be biodegradable, non-toxic, and have a high absorption capacity. Deep eutectic solvents (DES) possess such characteristics. In the literature, due to the very large number of DES combinations, conductor-like screening models for real solvents (COSMO-RS), based on the comparison of siloxane activity coefficient of 90 DESs of various types, were studied. DESs, which have the highest affinity to siloxanes, were synthesized. The most important physicochemical properties of DESs were carefully studied. In order to explain of the mechanism of DES formation, and the interaction between DES and siloxanes, the theoretical studies based on σ-profiles, and experimental studies including the 1H NMR, 13C NMR, and FT-IR spectra, were applied. The obtained results indicated that the new DESs, which were composed of carvone and carboxylic acids, were characterized by the highest affinity to siloxanes. It was shown that the hydrogen bonds between the active ketone group (=O) and the carboxyl group (-COOH) determined the formation of stable DESs with a melting point much lower than those of the individual components. On the other hand, non-bonded interactions mainly determined the effective capture of siloxanes with DES. 相似文献
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Eduarda S. Morais Mara G. Freire Carmen S. R. Freire Armando J. D. Silvestre 《International journal of molecular sciences》2022,23(4)
Hydroxymethylfurfural (5-HMF) is a key platform chemical, essential for the production of other chemicals, as well as fuels. Despite its importance, the production methods applied so far still lack in sustainability. In this work, acidic deep eutectic solvents (DES), acting both as solvent and catalyst, were studied for the conversion of fructose into 5-HMF using microwave-assisted reactions. These solvents were screened and optimized by varying the hydrogen bond donor (HBD) and hydrogen bond acceptor (HBA). The bio-based solvent γ-valerolactone (GVL) was also applied as additive, leading to a boost in 5-HMF yield. Then, a response surface methodology was applied to further optimize operating conditions, such as reaction time, temperature and wt.% of added GVL. The highest 5-HMF yield attained, after optimization, was 82.4% at 130 °C, in 4 min of reaction time and with the addition of 10 wt.% of GVL. Moreover, a process for 5-HMF recovery and DES reuse was developed through the use of the bio-based solvent 2-methyltetrahydrofuran (2-Me-THF), allowing at least three cycles of 5-HMF production with minimal yield losses, while maintaining the purity of the isolated 5-HMF and the efficacy of the reaction media. 相似文献
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Nine types of deep eutectic solvents (DESs) were used as mobile-phase additives to improve the chromatographic behaviors of quercetin. Three variables (temperature, molar ratio and concentration) were studied. According to the ion interaction theory and the hydrogen bond, DESs components can work as ions and play an ion-pairing role with quercetin at the same time. Under the optimum condition, the number of theoretical plates was 6690.8 and the tailing factor was 1.71. Compared with acetic acid (HAc), DESs as mobile-phase additives would not damage the High Performance Liquid Chromatography (HPLC) system. The excellent properties of DESs showed their potential as additives for the determination of quercetin. 相似文献
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低共熔溶剂作为近十年来迅速发展的一类新型绿色溶剂,不仅具备离子液体的优点,而且原料价廉易得、合成条件简单、萃取脱硫效果好,已成为继离子液体用于车用燃料脱硫研究之后又一新的研究热点。本文根据合成低共熔溶剂的盐与氢键供体（或水合盐）的不同,对用于车用燃料脱硫的低共熔溶剂进行了分类总结,简述了低共熔溶剂的物化性质,介绍了低共熔溶剂用于车用燃料脱硫的方法及研究进展,对比了低共熔溶剂对不同含硫化合物的脱除效果,归纳了低共熔溶剂的萃取脱硫和氧化萃取脱硫机理。最后针对低共熔溶剂用于车用燃料脱硫中存在的选择性低、循环再生等关键问题,指出了其研究发展方向应是通过开发具有萃取脱硫高选择性的低共熔溶剂以及寻找新型绿色环保的低共熔溶剂脱硫方法来实现深度脱硫。 相似文献
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Duan-Jian Tao Feng Qu Zhang-Min Li Yan Zhou 《American Institute of Chemical Engineers》2021,67(2):e17106
Achieving efficient dissolution of carbon monoxide (CO) in the solvent is very helpful for the implementation of carbonylation reaction at ambient pressure. However, almost all of common solvents show very low solubilities of CO at high temperature. Herein, a series of cuprous-based ternary deep eutectic solvent (DES) was prepared by mixing imidazolium hydrochloride with CuCl and ZnCl2. The ternary DES [BimH]Cl-CuCl-1.0ZnCl2 exhibited very large CO absorption capacity (0.075 mol mol−1, 1 bar) even at a high temperature (353.2 K), which is superior to all of the reported absorbents. Moreover, the ternary DES [BimH]Cl-CuCl-1.0ZnCl2 could further promote the reactive absorption of CO to conduct the aminocarbonylation reaction effortlessly at ambient pressure, and thus the targeted products benzamides were obtained in 70–97 yields. We believe that this finding opens a new way to design advanced solvents for efficient capture of CO at high temperature. 相似文献
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低温煤焦油中酚类化合物的高效分离在工业上具有重要意义。采用COSMO-RS模型对40种用于间甲酚-异丙苯分离的低共熔溶剂进行筛选,结合σ-profile和σ-potential对筛选得到的低共熔溶剂的高萃取性能进行分析。并采用液液相平衡实验对筛选结果进行验证,优化了萃取工艺条件。结果表明,COSMO-RS模型筛选得到的氯化胆碱(ChCl)∶乙二醇(EG)(1∶2)、ChCl∶丙三醇(Gly)(1∶2)、ChCl∶乳酸(LA)(1∶2)三种低共熔溶剂与间甲酚之间存在较强的氢键相互作用,与异丙苯之间存在排斥作用。液液相平衡实验证实了COSMO-RS筛选结果的可靠性,其中ChCl∶EG(1∶2)具有最高的分配系数和选择性系数,且黏度最低,被选定为最佳的低共熔溶剂。在25℃、ChCl∶EG(1∶2)与模型油质量比为1∶1时,ChCl∶EG(1∶2)对间甲酚萃取率高达98.41%,同时异丙苯夹带量仅为8.41%,并且具有良好的循环使用性能。 相似文献
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Yan-Xu Wang Xiao-Jing Hou Jing Zeng Ke-Jun Wu Yuchen He 《American Institute of Chemical Engineers》2023,69(7):e18095
The use of machine learning in physicochemical properties modeling has great potential to accelerate the application of emerging materials. Deep eutectic solvents (DESs), an emerging class of solvents, are promising for applications as inexpensive “designer” solvents. Due to the unique structure of DESs, the hydrogen bond donor and hydrogen bond acceptor can be varied to create a mixture with specific physical properties. In this work, we proposed random forest (RF) models to predict the densities and the surface tensions of DESs, which are essential for the separation process. In the proposed models, the structural information and the calculated critical properties were used as two different types of features, respectively. The results demonstrate that the RF models predict the densities and surface tensions of DESs with high accuracy, with absolute average relative deviation (AARD%) less than 1% in the prediction of density and 3% in the prediction of surface tension. 相似文献
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低温煤焦油中酚类化合物的高效分离在工业上具有重要意义。采用COSMO-RS模型对40种用于间甲酚-异丙苯分离的低共熔溶剂进行筛选,结合σ-profile和σ-potential对筛选得到的低共熔溶剂的高萃取性能进行分析。并采用液液相平衡实验对筛选结果进行验证,优化了萃取工艺条件。结果表明,COSMO-RS模型筛选得到的氯化胆碱(ChCl)∶乙二醇(EG)(1∶2)、ChCl∶丙三醇(Gly)(1∶2)、ChCl∶乳酸(LA)(1∶2)三种低共熔溶剂与间甲酚之间存在较强的氢键相互作用,与异丙苯之间存在排斥作用。液液相平衡实验证实了COSMO-RS筛选结果的可靠性,其中ChCl∶EG(1∶2)具有最高的分配系数和选择性系数,且黏度最低,被选定为最佳的低共熔溶剂。在25℃、ChCl∶EG(1∶2)与模型油质量比为1∶1时,ChCl∶EG(1∶2)对间甲酚萃取率高达98.41%,同时异丙苯夹带量仅为8.41%,并且具有良好的循环使用性能。 相似文献
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Many promising qualities of deep‐eutectic solvents made them suitable solvents in separation process. In this work, the pyridine‐based deep eutectic solvents were designed and synthesized with N‐ethylpyridinium bromide and two HBDs (N‐formyl morpholine and levulinic acid). Two ternary systems, benzene + cyclohexane + DES and toluene + n‐heptane + DES, were studied by the liquid‐liquid extraction. The effect of different HBDs, extraction time, volume ratio of DES to system solution, and the initial concentration of aromatic were studied. The DES with N‐formyl morpholine showed better separation performance than that with levulinic acid. The liquid‐liquid extraction equilibrium could be obtained in 10 minutes. The volume ratio of DES to system solution was set as 1:1. Both DESs showed their best separation performance at low temperatures (20°C) and low aromatic concentration system. For the benzene + cyclohexane system, the distribution coefficient of benzene was 1.733 and the selectivity was 23.8 at 20°C. For the toluene + n‐heptane system, the distribution coefficient of toluene was 0.853 and the selectivity was 40.7. Tie‐lines for two ternary systems were obtained, and the Othmer‐Tobias correlation was used to check the reliability of the obtained liquid‐liquid extraction experimental data. The experimental LLE data were correlated using the NRTL model and the calculated data correlated significantly with the experimental data. 相似文献
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Liu-Ying Yu Xiao-Jing Hou Gao-Peng Ren Ke-Jun Wu Chao-Hong He 《American Institute of Chemical Engineers》2022,68(9):e17744
Deep eutectic solvents (DESs), a novel category of sustainable solvents, are expected to achieve the design of the chemical processes without utilizing or generating harmful chemicals. In this work, based on the mathematical model inspired by the transition state theory, the group contribution method is used to accurately predict the viscosity of DESs. The model is constrained by Eyring rate theory and hard sphere free volume theory. A dataset of 2229 experimental viscosity data points of 183 DESs from literature is used to determine the model parameters and subsequently verify the model. The rules introduced by this model are simple and easy to follow. The results show that the proposed model is capable to predict the viscosity of DESs with very high accuracy, using only temperature and composition as inputs. The average absolute relative deviations (AARDs) of the model are 8.12% and 8.64% over the training and test sets, respectively, and the maximum ARD is 34.63%. Therefore, the as-proposed model can be considered a highly reliable tool for predicting the viscosity of DESs when experimental data are absent. It will provide useful guidance for the synthesis of DESs with specific viscosity to meet different application requirements and promote their industrial-scale implementation. 相似文献
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煤焦油物质丰富、组成复杂,其中,含杂原子的芳香族化合物以及稠环芳烃具有极高的工业应用价值,但是难以通过石化行业获取。如何“破坏”杂原子芳香族化合物和稠环芳烃间的缔合作用,是高效分离的关键和萃取剂选择难点。若对待分离体系中各物质之间的“缔合结构”有清晰的认识,便可根据不同的能量范围设计萃取剂。据此,基于分子力场分析,获得了氮/硫杂原子芳香族化合物色散作用能的范围,约为 -15~-70 kJ/mol,比照分析低共熔溶剂萃取氮/硫杂原子芳香族化合物研究动态,对增强分子间相互作用的调控手段归类,印证了可以根据待分离体系不同的能量范围来选择萃取剂,这种萃取剂选择方法可以作为分离杂原子芳香族化合物和稠环芳烃的一种新策略。 相似文献