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Insight into the experiment and extraction mechanism for separating carbazole from anthracene oil with quaternary ammonium-based deep eutectic solvents
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作者 Xudong Zhang Yanhua Liu +4 位作者 Jun Shen Yugao Wang Gang Liu Yanxia Niu Qingtao Sheng 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第1期188-199,共12页
Carbazole is an irreplaceable basic organic chemical raw material and intermediate in industry.The separation of carbazole from anthracene oil by environmental benign solvents is important but still a challenge in che... Carbazole is an irreplaceable basic organic chemical raw material and intermediate in industry.The separation of carbazole from anthracene oil by environmental benign solvents is important but still a challenge in chemical engineering.Deep eutectic solvents (DESs) as a sustainable green separation solvent have been proposed for the separation of carbazole from model anthracene oil.In this research,three quaternary ammonium-based DESs were prepared using ethylene glycol (EG) as hydrogen bond donor and tetrabutylammonium chloride (TBAC),tetrabutylammonium bromide or choline chloride as hydrogen bond acceptors.To explore their extraction performance of carbazole,the conductor-like screening model for real solvents (COSMO-RS) model was used to predict the activity coefficient at infinite dilution (γ^(∞)) of carbazole in DESs,and the result indicated TBAC:EG (1:2) had the stronger extraction ability for carbazole due to the higher capacity at infinite dilution (C^(∞)) value.Then,the separation performance of these three DESs was evaluated by experiments,and the experimental results were in good agreement with the COSMO-RS prediction results.The TBAC:EG (1:2) was determined as the most promising solvent.Additionally,the extraction conditions of TBAC:EG (1:2) were optimized,and the extraction efficiency,distribution coefficient and selectivity of carbazole could reach up to 85.74%,30.18 and 66.10%,respectively.Moreover,the TBAC:EG (1:2) could be recycled by using environmentally friendly water as antisolvent.In addition,the separation performance of TBAC:EG (1:2) was also evaluated by real crude anthracene,the carbazole was obtained with purity and yield of 85.32%,60.27%,respectively.Lastly,the extraction mechanism was elucidated byσ-profiles and interaction energy analysis.Theoretical calculation results showed that the main driving force for the extraction process was the hydrogen bonding ((N–H...Cl) and van der Waals interactions (C–H...O and C–H...π),which corresponding to the blue and green isosurfaces in IGMH analysis.This work presented a novel method for separating carbazole from crude anthracene oil,and will provide an important reference for the separation of other high value-added products from coal tar. 展开更多
关键词 CARBAZOLE Model anthracene oil Deep eutectic solvents COSMO-RS Extraction mechanism
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Deep eutectic solvents for separation and purification applications in critical metal metallurgy:Recent advances and perspectives
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作者 Shuo Chen Shengpeng Su +4 位作者 Yanfang Huang Bingbing Liu Hu Sun Shuzhen Yang Guihong Han 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS 2025年第1期1-19,共19页
Solvent extraction,a separation and purification technology,is crucial in critical metal metallurgy.Organic solvents commonly used in solvent extraction exhibit disadvantages,such as high volatility,high toxicity,and ... Solvent extraction,a separation and purification technology,is crucial in critical metal metallurgy.Organic solvents commonly used in solvent extraction exhibit disadvantages,such as high volatility,high toxicity,and flammability,causing a spectrum of hazards to human health and environmental safety.Neoteric solvents have been recognized as potential alternatives to these harmful organic solvents.In the past two decades,several neoteric solvents have been proposed,including ionic liquids(ILs)and deep eutectic solvents(DESs).DESs have gradually become the focus of green solvents owing to several advantages,namely,low toxicity,degradability,and low cost.In this critical review,their classification,formation mechanisms,preparation methods,characterization technologies,and special physicochemical properties based on the most recent advancements in research have been systematically described.Subsequently,the major separation and purification applications of DESs in critical metal metallurgy were comprehensively summarized.Finally,future opportunities and challenges of DESs were explored in the current research area.In conclusion,this review provides valuable insights for improving our overall understanding of DESs,and it holds important potential for expanding separation and purification applications in critical metal metallurgy. 展开更多
关键词 deep eutectic solvents preparations PROPERTIES separation and purification critical metal metallurgy
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Study on the green extraction of corncob xylan by deep eutectic solvent
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作者 Bingyu Jiao Le Wang +3 位作者 Haitao Gui Zifu Ni Rong Du Yuansen Hu 《Grain & Oil Science and Technology》 CAS 2024年第1期50-59,共10页
Corn as one of the world's major food crops,its by-product corn cob is also rich in resources.However,the unreasonable utilization of corn cob often causes the environmental pollution,waste of resources and other ... Corn as one of the world's major food crops,its by-product corn cob is also rich in resources.However,the unreasonable utilization of corn cob often causes the environmental pollution,waste of resources and other problems.As one of the most abundant polymers in nature,xylan is widely used in food,medicine,materials and other fields.Corn cob is rich in xylan,which is an ideal raw material for extracting xylan.However,the intractable lignin is covalently linked to xylan,which increases the difficulty of xylan extraction.It has been reported that the deep eutectic solvent(DES)could preferentially dissolve lignin in biomass,thereby dissolving the xylan.Then,the xylan in the extract was separated by ethanol precipitation method.The xylan precipitate was obtained after centrifugation,while the supernatant was retained.The components of the supernatant after ethanol precipitation were separated by the rotary evaporator.The ethanol,water and DES were collected for the subsequent extraction of corn cob xylan.In this study,a novel way was provided for the green production of corn cob xylan.The DES was used to extract xylan from corn cob which was used as the raw material.The effects of solid-liquid ratio,reaction time,reaction temperature and water content of DES on the extraction rate of corn cob xylan were investigated by the single factor test.Furthermore,the orthogonal test was designed to optimize the xylan extraction process.The structure of corn cob xylan was analyzed and verified.The results showed that the optimum extraction conditions of corn cob xylan were as follows:the ratio of corn cob to DES was 1:15(g:mL),the extraction time was 3 h,the extraction temperature was 60℃,and the water content of DES was 70%.Under these conditions,the extraction rate of xylan was 16.46%.The extracted corn cob xylan was distinctive triple helix of polysaccharide,which was similar to the structure of commercially available xylan.Xylan was effectively and workably extracted from corn cob by the DES method.This study provided a new approach for high value conversion of corn cob and the clean production of xylan. 展开更多
关键词 CORNCOB Deep eutectic solvent XYLAN Process optimization EXTRACTION
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Efficient and reversible separation of NH_(3) by deep eutectic solvents with multiple active sites and low viscosities
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作者 Jiayin Zhang Lu Zheng +4 位作者 Siqi Fang Hongwei Zhang Zhenping Cai Kuan Huang Lilong Jiang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第3期97-105,共9页
The efficient separation and collection of ammonia(NH_(3))during NH_(3) synthesis process is essential to improve the economic efficiency and protect the environment.In this work,ethanolammonium hydrochloride(EtOHACl)... The efficient separation and collection of ammonia(NH_(3))during NH_(3) synthesis process is essential to improve the economic efficiency and protect the environment.In this work,ethanolammonium hydrochloride(EtOHACl)and phenol(PhOH)were used to prepare a novel class of deep eutectic solvents(DESs)with multiple active sites and low viscosities.The NH_(3) separation performance of EtOHACl+PhOH DESs was analyzed completely.It is figured out that the NH_(3) absorption rates in EtOHACl+PhOH DESs are very fast.The NH_(3) absorption capacities are very high and reach up to 5.52 and 10.74 mol·kg1 at 11.2 and 100.4 kPa under 298.2 K,respectively.In addition,the EtOHACl+PhOH DESs present highly selective absorption of NH_(3) over N_(2) and H_(2) and good regenerative properties after seven cycles of absorption/desorption.The intrinsic separation mechanism of NH_(3) by EtOHACl+PhOH DESs was further revealed by spectroscopic analysis and quantum chemistry calculations. 展开更多
关键词 SEPARATION Absorption Ionic liquid Deep eutectic solvent Multiple active site Low viscosity
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Sodium Nitrate/Formamide Deep Eutectic Solvent as Flame-Retardant and Anticorrosive Electrolyte Enabling 2.6 V Safe Supercapacitors with Long Cyclic Stability
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作者 Huachao Yang Yiheng Qi +6 位作者 Zifan Wang Qinghu Pan Chuanzhi Zhang Jianhua Yan Kefa Cen Zheng Bo Kostya(Ken)Ostrikov 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第3期374-383,共10页
Safe operation of electrochemical capacitors(supercapacitors)is hindered by the flammability of commercial organic electrolytes.Non-flammable Water-in-Salt(WIS)electrolytes are promising alternatives;however,they are ... Safe operation of electrochemical capacitors(supercapacitors)is hindered by the flammability of commercial organic electrolytes.Non-flammable Water-in-Salt(WIS)electrolytes are promising alternatives;however,they are plagued by the limited operation voltage window(typically≤2.3 V)and inherent corrosion of current collectors.Herein,a novel deep eutectic solvent(DES)-based electrolyte which uses formamide(FMD)as hydrogen-bond donor and sodium nitrate(NaNO_(3))as hydrogen-bond acceptor is demonstrated.The electrolyte exhibits the wide electrochemical stability window(3.14 V),high electrical conductivity(14.01 mScm^(-1)),good flame-retardance,anticorrosive property,and ultralow cost(7%of the commercial electrolyte and 2%of WIS).Raman spectroscopy and Density Functional Theory calculations reveal that the hydrogen bonds between the FMD molecules and NO_(3)^(-)ions are primarily responsible for the superior stability and conductivity.The developed NaNO_(3)/FMD-based coin cell supercapacitor is among the best-performing state-of-art DES and WIS devices,evidenced by the high voltage window(2.6 V),outstanding energy and power densities(22.77 Wh kg^(-1)at 630 W kg^(-1)and 17.37 kW kg^(-1)at 12.55 Wh kg^(-1)),ultralong cyclic stability(86%after 30000 cycles),and negligible current collector corrosion.The NaNO_(3)/FMD industry adoption potential is demonstrated by fabricating 100 F pouch cell supercapacitors using commercial aluminum current collectors. 展开更多
关键词 cyclic stability deep eutectic solvents electrical conductivity electrochemical stability window SUPERCAPACITORS
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Oxidative Desulfurization of Fuel Oil with H_(3)PO_(4)-based Deep Eutectic Solvents
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作者 Li Xiuping Zhang Jiayin +1 位作者 Hou Liangpei Zhao Rongxiang 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS CSCD 2024年第2期178-186,共9页
A series of Lewis-acid deep eutectic solvents (DESs) were synthesized by stirring phosphoric acid and zincchloride as raw materials at 80℃ to form H_(3)PO_(4)/nZnCl_(2) (n = 0.1, 0.25, 0.5, 0.75, 1). The DESs were ch... A series of Lewis-acid deep eutectic solvents (DESs) were synthesized by stirring phosphoric acid and zincchloride as raw materials at 80℃ to form H_(3)PO_(4)/nZnCl_(2) (n = 0.1, 0.25, 0.5, 0.75, 1). The DESs were characterized byFourier transform infrared spectrophotometry (FT-IR), thermogravimetry/differential thermogravimetry (TG/DTG), andelectron spray ionization mass spectrometry (ESI-MS). The DESs were used as both extractants and catalysts to removedibenzothiophene from fuels via oxidative desulfurization (ODS). Experiments were performed to investigated the influenceof factors such as composition of DES, temperature, oxidant dosage (molar ratio of O:S), DES dosage (volume ratio ofDES:oil), and number of cycles on desulfurization rate. The results indicated that the removal rate of dibenzothiophene (DBT)was affected by the Lewis acidic DESs, with that of H_(3)PO_(4)/0.25∙ZnCl_(2) reaching 96.4% under optimal conditions (Voil=5 mL,VDES=1 mL, an oxidant dosage of 6, T=50 ℃). After six cycles, the desulfurization rate of H_(3)PO_(4)/0.25∙ZnCl_(2) remained above94.1%. The apparent activation energy of dibenzothiophene (DBT) removal reaction was determined by a pseudo-first orderkinetic equation according to the Arrhenius equation to be 32.34 kJ/mol, as estimated. A reaction mechanism is proposedbased on the experimental data and characterization results. 展开更多
关键词 deep eutectic solvents phosphoric acid zinc chloride oxidative desulfurization
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Machine-Learning-Assisted Design of Deep Eutectic Solvents Based on Uncovered Hydrogen Bond Patterns
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作者 Usman L.Abbas Yuxuan Zhang +4 位作者 Joseph Tapia Selim Md Jin Chen Jian Shi Qing Shao 《Engineering》 SCIE EI CAS CSCD 2024年第8期74-83,共10页
Non-ionic deep eutectic solvents(DESs)are non-ionic designer solvents with various applications in catalysis,extraction,carbon capture,and pharmaceuticals.However,discovering new DES candidates is challenging due to a... Non-ionic deep eutectic solvents(DESs)are non-ionic designer solvents with various applications in catalysis,extraction,carbon capture,and pharmaceuticals.However,discovering new DES candidates is challenging due to a lack of efficient tools that accurately predict DES formation.The search for DES relies heavily on intuition or trial-and-error processes,leading to low success rates or missed opportunities.Recognizing that hydrogen bonds(HBs)play a central role in DES formation,we aim to identify HB features that distinguish DES from non-DES systems and use them to develop machine learning(ML)models to discover new DES systems.We first analyze the HB properties of 38 known DES and 111 known non-DES systems using their molecular dynamics(MD)simulation trajectories.The analysis reveals that DES systems have two unique features compared to non-DES systems:The DESs have①more imbalance between the numbers of the two intra-component HBs and②more and stronger inter-component HBs.Based on these results,we develop 30 ML models using ten algorithms and three types of HB-based descriptors.The model performance is first benchmarked using the average and minimal receiver operating characteristic(ROC)-area under the curve(AUC)values.We also analyze the importance of individual features in the models,and the results are consistent with the simulation-based statistical analysis.Finally,we validate the models using the experimental data of 34 systems.The extra trees forest model outperforms the other models in the validation,with an ROC-AUC of 0.88.Our work illustrates the importance of HBs in DES formation and shows the potential of ML in discovering new DESs. 展开更多
关键词 Machine learning Deep eutectic solvents Molecular dynamics simulations Hydrogen bond Molecular design
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Research Progress of Deep Eutectic Solvents in Extraction of Plant Flavonoids
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作者 Zhen LIN Shengmei XU +2 位作者 Shaomei CHEN Cui WANG Jian CHEN 《Agricultural Biotechnology》 2024年第3期34-40,44,共8页
As a new type of green solvents,deep eutectic solvents(DESs)have the advantages of strong extraction ability,designability,simple preparation,low price,recoverability and biodegradation,and show great application pote... As a new type of green solvents,deep eutectic solvents(DESs)have the advantages of strong extraction ability,designability,simple preparation,low price,recoverability and biodegradation,and show great application potential in the field of plant flavonoid extraction.In this paper,the definition,classification and preparation methods of DESs were introduced.The effects of DES composition,molar ratio of DES components,water content of DES systems,liquid-material ratio,extraction temperature,extraction time and extraction auxiliary techniques on the extraction yield of plant flavonoids were expounded.The recycling methods of DESs were summarized.Existing problems of DESs in the field of plant flavonoids extraction were pointed out,and further research direction and trend were analyzed and prospected. 展开更多
关键词 Deep eutectic solvent Plant flavonoid EXTRACTION Assistive technique REGENERATION
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Stoichiometry and Stability Constant Values for Copper (II) Chelates with Ethylene Diamine in Deep Eutectic Solvents (DES) (Ethaline) Solutions
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作者 Khalid El Ttaib Abdolhadi Benhmid Rifat Hasan Omar 《Open Journal of Applied Sciences》 2024年第9期2592-2609,共18页
In this study we used the deep eutectic solvents (ionic liquids) to investigate the reaction between copper (II) with ethylene diamine (en). Two of the existing methods for analyzing spectrophotometric measurements ha... In this study we used the deep eutectic solvents (ionic liquids) to investigate the reaction between copper (II) with ethylene diamine (en). Two of the existing methods for analyzing spectrophotometric measurements have been applied for establishing, the stoichiometry and whenever possible, the stability constants of the chelates formed. The method of continuous variations was necessary to determine first whether, the metal ion and the ligand ethylene diamine form one or more than one chelate, when more than one chelate formed, the results obtained depend on the wavelength and for meaningful conclusions the wavelengths were carefully selected. The empirical formulae of the chelates were further substantiated by the molar ratio method. The effect of time and temperature on the formation and stability of these chelates in solution is also studied. The stability constants, K1 and K2 for the copper (II) chelates were calculated, though reliable, and are comparable to literature values. 展开更多
关键词 CU(II) Ethylene Diamine (en) Deep eutectic Solvents Job’s Method Ionic Liquids and Stability Constant
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Air-Stable Binary Hydrated Eutectic Electrolytes with Unique Solvation Structure for Rechargeable Aluminum-Ion Batteries 被引量:2
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作者 Pengyu Meng Jian Huang +6 位作者 Zhaohui Yang Min Jiang Yibo Wang Wei Zhang Jiao Zhang Baode Sun Chaopeng Fu 《Nano-Micro Letters》 SCIE EI CAS CSCD 2023年第10期595-608,共14页
Aluminum-ion batteries(AIBs)have been highlighted as a potential alternative to lithium-ion batteries for large-scale energy storage due to the abundant reserve,light weight,low cost,and good safety of Al.However,the ... Aluminum-ion batteries(AIBs)have been highlighted as a potential alternative to lithium-ion batteries for large-scale energy storage due to the abundant reserve,light weight,low cost,and good safety of Al.However,the development of AIBs faces challenges due to the usage of AlCl_(3)-based ionic liquid electrolytes,which are expensive,corrosive,and sensitive to humidity.Here,we develop a low-cost,non-corrosive,and air-stable hydrated eutectic electrolyte composed of aluminum perchlorate nonahydrate and methylurea(MU)ligand.Through optimizing the molar ratio to achieve the unique solvation structure,the formed Al(ClO_4)_(3)·9H_(2)O/MU hydrated deep eutectic electrolyte(AMHEE)with an average coordination number of 2.4 can facilely realize stable and reversible deposition/stripping of Al.When combining with vanadium oxide nanorods positive electrode,the Al-ion full battery delivers a high discharge capacity of 320 mAh g^(-1)with good capacity retention.The unique solvation structure with a low desolvation energy of the AMHEE enables Al^(3+)insertion/extraction during charge/discharge processes,which is evidenced by in situ synchrotron radiation X-ray diffraction.This work opens a new pathway of developing low-cost,safe,environmentally friendly and high-performance electrolytes for practical and sustainable AIBs. 展开更多
关键词 Al-ion battery Hydrated eutectic electrolyte Mechanism Solvation structure
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An overview of deep eutectic solvents:Alternative for organic electrolytes,aqueous systems&ionic liquids for electrochemical energy storage 被引量:2
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作者 Akshay Sharma Renuka Sharma +1 位作者 Ramesh C.Thakur Lakhveer Singh 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第7期592-626,I0013,共36页
As the demand for sustainable energy sources continues to rise,the need for efficient and reliable energy storage systems becomes crucial.In order to effectively store and distribute renewable energy,new and innovativ... As the demand for sustainable energy sources continues to rise,the need for efficient and reliable energy storage systems becomes crucial.In order to effectively store and distribute renewable energy,new and innovative solutions must be explored.This review examines the deep eutectic solvents(DESs)as a green,safe,and affordable solution for the electrochemical energy storage and conversion field,offering tremendous opportunities and a promising future.DESs are a class of environment-friendly solvents known for their low toxicity and unique properties,such as their good conductivity,high thermal stability,and nonflammability.This review explores the fundamentals,preparations,and various interactions that often predominate in the formation of DESs,the properties of DESs,and how DESs are better than traditional solvents involving cost-ineffective and unsafe organic electrolytes and ionic liquids as well as inefficient aqueous systems due to low energy density for electrochemical energy storage applications.Then,a particular focus is placed on the various electrochemical applications of DESs,including their role in the electrolytes in batteries/supercapacitors,electropolishing and electrodeposition of metals,synthesis of electrode materials,recycling of electrodes,and their potential for use in CO_(2)capture.The review concludes by exploring the challenges,research gaps,and future potential of DESs in electrochemical applications,providing a comprehensive overview,and highlighting key considerations for their design and use. 展开更多
关键词 Deep eutectic solvent Green solventHole theory Energy storage devices Aqueous electrolyte
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Enhancing effect of choline chloride-based deep eutectic solvents with polyols on the aqueous solubility of curcumin–insight from experiment and theoretical calculation
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作者 Wen Yu Yiyang Bo +3 位作者 Yiling Luo Xiyan Huang Rixiang Zhang Jiaheng Zhang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2023年第7期160-168,共9页
The development of green solvents for enhancing aqueous solubility of drug curcumin remains a challenge. This study explores the enhancing effect of deep eutectic solvents(DESs) on the aqueous solubility of curcumin(C... The development of green solvents for enhancing aqueous solubility of drug curcumin remains a challenge. This study explores the enhancing effect of deep eutectic solvents(DESs) on the aqueous solubility of curcumin(CUR) via experiment and theoretical calculation. Choline chloride-based DESs with polyols 1,2-propanediol(1,2-PDO), 1,3-propanediol, ethylene glycol, and glycerol as hydrogen bond donors were prepared and used as co-solvents. The CUR aqueous solubility increased with increasing the DESs content at temperature of 303.15-318.15 K, especially in aqueous ChCl/1,2-PDO(mole ratio 1:4) solutions. The positive apparent molar volume values and reduced density gradient analysis confirmed the existence of strong interactions between CUR and solvent. The van der Waals interactions and hydrogen bonding coexisted in DESs monomer retained the stability of DESs structure after introducing CUR. Moreover,the lower interaction energy of DESs…CUR system than that of the counterpart DESs further proved the strong interaction between CUR and DESs. The lowest interaction energy of ChCl/1,2-PDO…CUR system indicated that this system was the most stable and ChCl/1,2-PDO was promising for CUR dissolution.This work provides efficient solvents for utilizing curcumin, contributing to a deep insight into the interactions between DES and CUR at the molecular level, and the role of DESs on enhancing drugs solubility. 展开更多
关键词 Choline chloride-polyol Deep eutectic solvents CURCUMIN Aqueous solubility Theoretical calculation
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Liquid–liquid extraction of levulinic acid from aqueous solutions using hydrophobic tri-n-octylamine/alcohol-based deep eutectic solvent
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作者 Yinglin Mai Xiaoling Xian +4 位作者 Lei Hu Xiaodong Zhang Xiaojie Zheng Shunhui Tao Xiaoqing Lin 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2023年第2期248-256,共9页
Levulinic acid(LA)is one of the top-12 most promising biomass-based platform chemicals,which has a wide range of applications in a variety of fields.However,separation and purification of LA from aqueous solution or a... Levulinic acid(LA)is one of the top-12 most promising biomass-based platform chemicals,which has a wide range of applications in a variety of fields.However,separation and purification of LA from aqueous solution or actual hydrolysate continues to be a challenge.Among various downstream separation technologies,liquid-liquid extraction is a low-cost,effective,and simple process to separate LA.The key breakthrough lies in the development of extractants with high extraction efficiency,good hydrophobicity,and low cost.In this work,three hydrophobic deep eutectic solvents(DESs)based on tri-n-octylamine(TOA)as hydrogen bond acceptor(HBA)and alcohols(butanol,2-octanol,and menthol)as hydrogen bond donors(HBDs)were developed to extract LA from aqueous solution.The molar ratios of HBD and HBA,extraction temperature,contact time,solution pH,and initial LA concentration,DES/water volume ratios were systematically investigated.Compared with 2-octanol-TOA and menthol-TOA DES,the butanol-TOA DES exhibited the superior extraction performance for LA,with a maximum extraction efficiency of 95.79±1.4%.Moreover,the solution pH had a great impact on the LA extraction efficiency of butanol-TOA(molar ratio=3:1).It is worth noting that the extraction equilibrium time was less than 0.5 h.More importantly,the butanol-TOA(3:1)DES possesses good extraction abilities for low,medium,and high concentrations of LA. 展开更多
关键词 Extraction SEPARATION Levulinic acid Deep eutectic solvents HYDROPHOBIC Aqueous solution
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Volumetric and ultrasonic properties of thiamine hydrochloride drug in aqueous solutions of choline-based deep eutectic solvents at different temperatures
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作者 Hemayat Shekaari Fariba Ghaffari Masumeh Mokhtarpour 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2023年第10期21-30,共10页
Important efforts have been made over the past years to improve the drug acts,which leads to the discovery of novel drug preparations and delivery systems.The optimal design of such processes requires a molecular-leve... Important efforts have been made over the past years to improve the drug acts,which leads to the discovery of novel drug preparations and delivery systems.The optimal design of such processes requires a molecular-level understanding of the interactions between drug molecules and biological membranes.The thermodynamic investigation provides deep and complete knowledge of interactions and the choice of appropriate and suitable production compounds in pharmaceutical fields.Particularly,the analysis of drugs+co-solvents in aqueous media is the central issue in many types of research because they exert their impact by interacting with biological membranes.This work is aimed to measure the density and speed of sound for the thiamine hydrochloride in water+deep eutectic solvents(DESs)mixtures(choline chloride/urea,choline chloride/ethylene glycol and choline chloride/glycerol)at temperature range(293.15-308.15)K.By correlation of the evaluated parameters in some standard relations,the partial molar parameters i.e.apparent molar volumes,Vφ,m,and apparent molar isentropic compression,κ_(s,φ,m),are calculated.In addition,apparent molar isobaric expansion,E^(0)_(φ,m),and Hepler’s constant are computed from the density and speed of sound data.For fitting the experimental Vφ,m andκ_(s,φ,m)the Redlich-Meyer equation was employed that the important quantities;standard partial molar volume,V^(0)_(m),and partial molar isentropic compression,κφ,m0,were obtained.The thermodynamic analysis of the studied system also plays a crucial role in the pharmaceutical industry. 展开更多
关键词 Deep eutectic solvents Thiamine hydrochloride Density Speed of sound Redlich-Meyer equation
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Efficient and selective extraction of sinomenine by deep eutectic solvents
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作者 Yunchang Fan Chunyan Zhu +3 位作者 Sheli Zhang Lei Zhang Qiang Wang Feng Wang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2023年第5期109-117,共9页
Sinomenine is the main bio-active ingredient of Sinomenii Caulis and usually produced by solventextraction techniques. However, the extraction of sinomenine suffers from the lack of highly efficient and environmentall... Sinomenine is the main bio-active ingredient of Sinomenii Caulis and usually produced by solventextraction techniques. However, the extraction of sinomenine suffers from the lack of highly efficient and environmentally-benign solvents. In this work, deep eutectic solvents(DESs) based on fragrances were synthesized, hydrogen-bond donors(HBDs) and hydrogen-bond acceptors(HBAs) components of DESs were identified and their extraction ability for sinomenine was evaluated and the extraction conditions were optimized by single-factor and orthogonal design experiments. It was found that the hydrogen-bonding interaction between sinomenine and DESs was the main extraction driving force and there was no explicit relationship between the extraction ability and the hydrophobicity of the DESs. The DESs could be recycled and sinomenine could be recovered quantitatively via backextraction. High-purity sinomenine((95.0 ± 2.3)%) could be produced. These findings suggest that DESs are highly-effective solvents for the isolation of sinomenine and exhibit great potential for the extraction of other bio-active compounds. 展开更多
关键词 SINOMENINE Solvent extraction Deep eutectic solvent(DES) Hydrogen-bonding interaction REGENERATION PURIFICATION
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Deep eutectic solvent-induced synthesis of Ni-Fe catalyst with excellent mass activity and stability for water oxidation
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作者 Ruichang Xue Mengwei Guo +1 位作者 Zhuoming Wei Qibo Zhang 《Green Energy & Environment》 SCIE EI CAS CSCD 2023年第3期852-863,共12页
Ni-Fe bimetallic electrodes are currently recognized as a kind of benchmark transition metal-based oxygen evolution reaction(OER)electrocatalysts.Facile synthesis of Ni-Fe bimetallic electrode materials with excellent... Ni-Fe bimetallic electrodes are currently recognized as a kind of benchmark transition metal-based oxygen evolution reaction(OER)electrocatalysts.Facile synthesis of Ni-Fe bimetallic electrode materials with excellent catalytic activity and satisfied stability by a simple and low-cost route is still a big challenge.Herein,well-defined Ni-Fe nanoparticles in-situ developed on a planar Fe substrate(Ni-Fe NPs/Fe)is fabricated via a facile one-step galvanic replacement reaction(GRR)carried out in an Ethaline-based deep eutectic solvent(DES).The prepared Ni-Fe NPs/Fe exhibits outstanding OER performance,which needs an overpotential of only 319 mV to drive a current density of 10 mA cm^(-2),with a small Tafel slope of 41.2 mV dec^(-1) in 1.0 mol L^(-1) KOH,high mass activity(up to 319.78 A g^(-1) at an overpotential of 300 mV)and robust durability for 200 h.Impressively,the Ni-Fe bimetallic oxygen-evolution electrode obtained from the Ethaline-based DES is catalytically more active and durable than that of its counterpart derived from the 4.2 mol L^(-1) NaCl aqueous solution.The reason for this is mainly related to the different morphology and surface state of the Ni-Fe catalysts obtained from these different solvent environments,particularly for the differences in phy-chemical properties,active species formed and deposition kinetics,offered by the Ethaline-based DES. 展开更多
关键词 Ni-Fe catalysts Galvanic replacement reaction Deep eutectic solvent Oxygen evolution reaction
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Intermolecular interactions induced property improvement for clean fracturing fluid by deep eutectic solvents
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作者 Xiang-Yu Wang Ming-Wei Zhao +6 位作者 Xu-Hao Wang Peng Liu Meng-Yao Fan Teng Li Zhen-Feng Ma Ying-Jie Dai Cai-Li Dai 《Petroleum Science》 SCIE EI CAS CSCD 2023年第6期3540-3552,共13页
Fracturing fluid property play a critical role in developing unconventional reservoirs.Deep eutectic solvents(DESs)show fascinating potential for property improvement of clean fracturing fluids(CFFs)due to their low-p... Fracturing fluid property play a critical role in developing unconventional reservoirs.Deep eutectic solvents(DESs)show fascinating potential for property improvement of clean fracturing fluids(CFFs)due to their low-price,low-toxicity,chemical stability and flexible designability.In this work,DESs were synthesized by mixing hydrogen bond acceptors(HBAs)and a given hydrogen bond donor(HBD)to explore their underlying influence on CFF properties based on the intermolecular interactions.The hydrogen-bonding,van der Waals and electrostatic interactions between DES components and surfactants improved the CFF properties by promoting the arrangement of surfactants at interface and enhancing the micelle network strength.The HBD enhanced the resistance of CFF for Ca^(2+) due to coordination-bonding interaction.The DESs composed of choline chloride(ChCl)and malonic acid show great enhancement for surface,rheology,temperature resistance,salt tolerance,drag reduction,and gel-breaking performance of CFFs.The DESs also improved the gel-breaking CFF-oil interactions,increasing the imbibition efficiencies to 44.2%in 74 h.Adjusting HBAs can effectively strengthen the intermolecular interactions(e.g.,HBA-surfactant and HBD-surfactant interactions)to improve CFF properties.The DESs developed in this study provide a novel strategy to intensify CFF properties. 展开更多
关键词 Deep eutectic solvents(DESs) Clean fracturing fluids(CFFs) Intermolecular interactions Property improvement
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Eutectic Solution Enables Powerful Click Reaction for In-Situ Construction of Advanced Gel Electrolytes
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作者 Weixin Ye Jirong Wang +1 位作者 Chi Zhang Zhigang Xue 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2023年第4期258-264,共7页
Thiol-ene click reaction is an intriguing strategy for preparing polymer electrolytes due to its high activity,atom economy and less side reaction.However,the explosive reaction rate and the use of non-electrolytic am... Thiol-ene click reaction is an intriguing strategy for preparing polymer electrolytes due to its high activity,atom economy and less side reaction.However,the explosive reaction rate and the use of non-electrolytic amine catalyst hamper its application in in-situ batteries.Herein,a nitrogen-containing eutectic solution is designed as both the catalyst of the thiol-ene reaction and the plasticizer to in-situ synthesize the gel polymer electrolytes,realizing a mild in-situ gelation process and the preparation of high-performance gel electrolytes.The obtained gel polymer electrolytes exhibit a high ionic conductivity of 4×10^(−4)S cm^(−1)and lithium-ion transference number(t_(Li)^(+))of 0.51 at 60°C.The as-assembled Li/LiFePO_(4)(LFP)cell delivers a high initial discharge capacity of 155.9 mAh g^(-1),and a favorable cycling stability with the capacity retention of 82%after 800 cycles at 1 C is also obtained.In addition,this eutectic solution significantly improves the rate performance of the LFP cell with high specific capacity of 141.5 and 126.8 mAh g^(-1)at 5 C and 10 C,respectively,and the cell can steadily work at various charge–discharge rate for 200 cycles.This powerful and efficient strategy may provide a novel way for in-situ preparing gel polymer electrolytes with desirable comprehensive performances. 展开更多
关键词 eutectic solution in-situ gelation lithium metal battery polymer electrolyte thiol-ene click reaction
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Atomistic insights into early stage corrosion of bcc Fe surfaces in oxygen dissolved liquid lead-bismuth eutectic(LBE-O)
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作者 周婷 高星 +4 位作者 马志伟 常海龙 申铁龙 崔明焕 王志光 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第3期384-395,共12页
Classical molecular dynamics simulations with global neural network machine learning potential are used to study early stage oxidation and dissolution behaviors of bcc Fe surfaces contacting with stagnant oxygen disso... Classical molecular dynamics simulations with global neural network machine learning potential are used to study early stage oxidation and dissolution behaviors of bcc Fe surfaces contacting with stagnant oxygen dissolved liquid leadbismuth eutectic(LBE-O).Both static and dynamic simulation results indicate that the early stage oxidation and dissolution behaviors of bcc Fe show strong orientation dependence under the liquid LBE environments,which may explain the experimental observations of uneven interface between iron-based materials and liquid LBE.Our investigations show that it is the delicate balance between the oxide growth and metal dissolution that leads to the observed corrosion anisotropy for bcc Fe contacting with liquid LBE-O. 展开更多
关键词 liquid lead-bismuth eutectic(LBE) global neural network(G-NN)potential DISSOLUTION
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Nucleation and growth of eutectic cell in hypoeutectic Al-Si alloy 被引量:5
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作者 孙瑜 庞绍平 +2 位作者 刘学然 杨子润 孙国雄 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2011年第10期2186-2191,共6页
The nucleation and growth of eutectic cell in hypoeutectic Al-Si alloy was investigated using optical microscopy and scanning electron microscopy equipped with electron backscattering diffraction(EBSD).By revealing ... The nucleation and growth of eutectic cell in hypoeutectic Al-Si alloy was investigated using optical microscopy and scanning electron microscopy equipped with electron backscattering diffraction(EBSD).By revealing the eutectic cells and analyzing the crystallographic orientation,it was found that both the eutectic Si and Al phases in an eutectic cell were not single crystal,representing an eutectic cell consisting of small 'grains'.It is also suggested that the eutectic nucleation mode can not be determined based on the crystallographic orientation between eutectic Al phases and the neighboring primary dendrite Al phases.However,the evolution of primary dendrite Al phases affects remarkably the following nucleation and growth of eutectic cell.The coarse flake-fine fibrous transition of eutectic Si morphology involved in impurity elements modification may be independent of eutectic nucleation. 展开更多
关键词 hypoeutectic Al-Si alloy eutectic cell NUCLEATION GROWTH
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