JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2013
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IF 2.004
Wujie Guo,Yucui Hou,Shuhang Ren,Shidong Tian,Weize Wu
Novel deep eutectic solvents (DES) based on three different hydrogen-bond donors (HBD), namely phenol, o-cresol, and 2,3-xylenol, and choline chloride (ChCl) were successfully synthesized with different mole ratios of HBD to ChCl. Melting temperature of these DES were measured. Compared with an ideal mixture of the two components, the freezing temperature of the DES depresses greatly from (120 to 127) K. The physical properties, such as density, viscosity, and conductivity of phenol-based and o-cresol-based DES were determined at atmospheric pressure and temperatures from (293.2 to 318.2) K at an interval of 5 K. The results show that the type of HBD, the mole ratio of HBD to ChCl, and temperature have great influences on the physical properties of DES. Densities and viscosities of DES formed by phenol and ChCl decrease with increases of temperature and phenol content. The conductivities of the DES are from (1.40 to 7.06) mS·cm–1, similar to that of room temperature ionic liquids. The conductivities of the DES increase with an increase of temperature, and reach the highest values at phenol to ChCl mole ratios of 4.00 to 5.00. The temperature dependence of densities and conductivities for these DES were correlated by an empirical second-order polynomial with relative deviations less than 0.91 %, and the viscosities were fitted to the VTF equation with relative deviations less than 0.52 %.
研究领域:
化学
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材料科学
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DOI
高影响因子
CELLULOSE
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2021
·Vol. 28
·期 16
·10127-10141
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IF 5.044
Qi Benkun,Wang Zhenwu,Luo Jianquan,Wan Yinhua
As a cheap, biodegradable, and nontoxic chemical, choline chloride (ChCl) is widely used in animal feed. In this study, acid and alkali catalyzed ChCl pretreatments of corn stover (CS) were investigated. Compared with single aqueous ChCl pretreatment, H 2 SO 4 acidified aqueous ChCl pretreatment was more effective in removing lignin (69.5%) and xylan (84.9%). NaOH alkalified aqueous ChCl pretreatment demonstrated better performance of delignification (76.8%) but weaker capability of removing xylan (46.2%) than acidified aqueous ChCl pretreatment. Following enzymatic digestibility of pretreated CS, glucose yield from acidified ChCl pretreatment was 72.1%, significantly lower than that of alkalified ChCl pretreatment (89.4%). However, the highest glucose yield of 98.6% resulted from solitary alkali pretreatment. Correlation studies between change in physico-chemical properties of pretreated solids and corresponding enzymatic digestibility indicated high delignification and bigger cellulose crystallite size were mainly responsible for high enzymatic hydrolysis efficiency. Additionally, the properties of extracted lignin from single and combined pretreatments with ChCl and alkali or acid were analyzed. Acidified ChCl pretreatment increased, whereas alkaline ChCl pretreatment decreased molecular weight and phenolic hydroxyl groups of separated lignin in comparison to individual acid and alkali pretreatment. These findings would provide useful information in understanding biomass pretreatments with aqueous ChCl.
研究领域:
生物化学
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生物质能
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环境科学
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2022
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IF 6.633
Congfei Yao,Hongqi Liu,Haisong Wu,Xudong Song,Xuanzhen Wang,Shuhang Ren,Weize Wu
To provide some guidance for the selective separation of cresol isomers from oils, the effect of structure on the physicochemical properties of deep eutectic solvents (DESs) formed by choline chloride (ChCl) and cresol isomers were studied. In this study, DESs with different mole ratios of cresols to ChCl (1.68 to 9.00) were prepared. The physicochemical properties (viscosity and density) of DESs, which were related to the separation process, were measured at different temperatures. The results indicated that the density and viscosity were closely related to the structure of cresols, temperature, and mole ratios of cresols to ChCl. Interestingly, when the mole ratio of cresols to ChCl was large enough, such as > 5.00, the density and viscosity got correspondingly closer to that of the pure cresols. This meant that cresols could not only serve as hydrogen bond donors to form DESs but also act as a solvent to dilute DESs. Finally, density functional theory (DFT) was used to reveal the microscopic properties and binding interactions of DESs. The most stable conformations, corresponding interaction energies and hydrogen bond length of DESs were obtained from the Gaussian 16 software, and Multiwfn 3.8 program was used to perform wave function analysis of the system. The results showed that the interaction between ChCl and cresol isomers decreased in the order o -cresol, m -cresol, and p -cresol, and the hydrogen bond dominated the interaction. The results at the molecular/atomic level further verified the experiment results, and a better understanding of the structural characteristics and intermolecular interactions of DESs could provide opportunities for the application of DESs.
研究领域:
化学工程
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理论化学
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DOI
高影响因子
Journal of Bioresources and Bioproducts
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2021
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IF 0
Jingwen Shao,Yong Ni,Lifeng Yan
Furfural is an alternative feedstock and has been used for the production of maleic acid (MA) and fumaric acid (FA) by an oxidation process. Deep eutectic solvents (DESs) were used as the green solvents while sodium chlorate was used as an oxidant and vanadium pentoxide was used as the catalyst at 70–90 °C under atmospheric pressure. It was found that several acidic DESs are valid, such as acetic acid/choline chloride (AA/ChCl) and propionic acid/choline chloride (PA/ChCl), and AA/ChCl DES was selected as the solvent for the conversion. The optimal DES is AA/ChCl, and the effect of the amount of oxidant, time, and temperature on the yield of the MA and FA has been systematically studied, and the conversion of furfural can reach 100% while the yield of the MA and FA reached 66.5% under reaction temperature of 80 °C for 12 h, which provides a new green route to synthesis valuable monomers from furfural.
研究领域:
化学工程
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绿色化学
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有机合成
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催化
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DOI
ChemSusChem
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2024
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IF 7.5
Xing Long,Mingzhu Yao,Shaoyan Wang,Chuangqi Ren,Xiao Zhao,Chengrong Qin,Chen Liang,Caoxing Huang,Shuangquan Yao
Separation of lignin by pretreatment is an important step in biomass refining. This study investigated how a novel dicarboxylic acid-based deep eutectic solvent (DES) - choline chloride (ChCl)/malonic acid (MA) - affected the process of separating lignin from poplar. At 140°C for 3.0 h, with a ChCl:MA molar ratio of 1:3.5, the ideal pretreatment conditions are met, and 91.8% lignin was obtained. Even after five DES reuses, the consistent and effective separation efficiency of 77.9% remains unchanged. The hydrolysate contained 92.4% of the recovered lignin, with a purity of 94.6%. Moreover, the regenerated lignin obtained through the new DES pretreatment exhibited a high phenolic hydroxyl content of 1.9 mmol∙g−1 and a low polydispersity index of 1.4. The results showed efficient and selective separation of lignin using the new binary carboxylic acid-based DES pretreatment was achieved. This research offers a novel approach to effectively separate wood fiber biomass and extract valuable lignin.
研究领域:
生物质能
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化学工程
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2024
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IF 5.3
Xiao-Ping Zheng,Xin-Yu Tian,Yu Chai,Ya-Peng Du,Yu-Cang Zhang,Yan-Zhen Zheng
This study explores an efficient catalytic system for the conversion of chitosan into 5-hydroxymethylfurfural (5-HMF) under hydrothermal conditions. The catalysts used are deep eutectic solvents (DESs) comprising choline chloride (ChCl) as the hydrogen bond acceptor (HBA) and various organic acids as the hydrogen bond donor (HBD). Among the DESs tested, the ChCl: oxalic acid (OA) combination exhibits the highest catalytic activity, resulting in a yield of 27.5% 5-HMF employed the optimized conditions. To elucidate the interaction between ChCl and OA, various analytical techniques were employed, including quantum chemical calculations, nuclear magnetic resonance (NMR), and Fourier transform infrared spectroscopy (FTIR). These investigations confirmed the formation of strong hydrogen-bonds between ChCl and OA. Furthermore, the solid residues obtained during the conversion process were characterized using FTIR, X-ray diffraction (XRD), and scanning electron microscopy (SEM). These analyses provide insights into the chemical structures and morphologies of the residues, revealing the gradual conversion of chitosan, along with the formation of humin by-products.
研究领域:
化学工程
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生物质转化
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催化科学
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DOI
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
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2018
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IF 3.909
Zhe Jiang,Jiugang Yuan,Ping Wang,Xuerong Fan,Jin Xu,Qiang Wang,Lianbing Zhang
Wool keratin is a kind of renewable protein which has great potential in environment-friendly materials. In this paper, the dissolution of wool fiber and the regeneration of wool keratin in the deep eutectic solvent (DES) of choline chloride-urea was detailed studied. The results showed that 35.1 mg wool completely dissolved in 1 g DES at 130 °C in 5 h. The polarizing microscope, scanning electron microscope (SEM) images along with the amino acid analysis suggested that the DES mainly dissolved the wool cortex layer. Compared with the raw wool, the regenerated wool keratin contained much more fragments of low molecular weight polypeptide chains from SDS-PAGE results. And the percentage of α-helix dramatically decreased, while the content of β-sheet and disordered structure increased. All the results indicated that the DES can be used as a kind of green solvent for the regeneration of wool keratin without losing the long peptide chains. The method also offered a possibility of large-scale for wasted wool reuse.
研究领域:
材料科学
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生物化学
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产品关联
DOI
PubMed
高影响因子
FUEL PROCESSING TECHNOLOGY
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2015
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IF 3.352
Shu-Hang Ren,Ying Xiao,Yi-Ming Wang,Jie Kong,Yu-Cui Hou,Wei-Ze Wu
Choline chloride (ChCl) was demonstrated to efficiently separate phenols from model oils by forming deep eutectic solvents (DESs). The DES way is a non-aqueous process that avoids the use of mineral alkalis and acids, and prevents the production of wastewater containing phenol. However, real oils, such as coal tar oil and liquefaction oil, consist of a small amount of water, and ChCl is a strong hygroscopic compound, which may influence the removal of phenol in real oil. In this work, the effect of water in mixtures of phenol and toluene (defined as model oils) on the separation of phenol by forming DES with ChCl was studied. The results indicated that water could interact with ChCl to form DES and the interaction between water and ChCl was stronger than that between phenol and ChCl. In the presence of water in model oils, the amount of ChCl should be increased to get the same phenol removal as that without water. Moreover, with water in model oils, the influence of temperature on the phenol removal was more negative. After the reuse of ChCl for four cycles with the presence of water, ChCl accumulated about 23% water and the removal efficiency of phenol decreased from 92% to 87%. To reduce the effect of water on phenol separation, an air drying method could be used to remove water in regenerated ChCl.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2017
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IF 3.648
Jiahong Zhu,Keke Yu,Yugang Zhu,Ruyu Zhu,Fangfang Ye,Ning Song,Yingjie Xu
Three deep eutectic solvents (DESs) were synthesized using choline chloride (ChCl) and phenolic compounds (phenol, p -cresol, and p -chlorophenol) as hydrogen bond donors (HBD) with a molar ratio of 1:2 (ChCl:HBD). Densities ( ρ ), viscosities ( η ), and refractive indices ( n D ) of DESs were measured at T = (293.15 to 333.15) K under atmospheric pressure. Temperature dependence of ρ and η were fitted by empirical equations, and thermal expansion coefficient ( α p ) and activation energy for viscous flow ( E η ) were obtained accordingly. FT-IR spectra of DESs were determined and compared with the corresponding HBDs. Based on physicochemical properties and FT-IR spectra, the influence of electronic effect of substitution group of HBD on hydrogen bond interaction between ChCl and HBD was explored. The results show that the electronic effect of HBD plays an important role on the strength of hydrogen bond interaction of O H ⋯ Cl − of DES. The strong electron-withdrawing property of Cl group of p -chlorophenol can strengthen the hydrogen bond interaction of O H ⋯ Cl − , which leads to higher ρ , η , and n D of DES formed by ChCl and p -chlorophenol. Conversely, CH 3 group of p -cresol exhibits electron-donating effect, resulting in weaker hydrogen bond interaction and lower ρ and n D of DES formed by ChCl and p -cresol. Consequently, the strength of hydrogen bond interaction of O H ⋯ Cl − between ChCl and HBD of DES is as follows: p -chlorophenol > phenol > p -cresol.
研究领域:
物理化学
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材料科学
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DOI
高影响因子
CERAMICS INTERNATIONAL
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2021
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IF 4.527
Zhipeng Wang,Rui Li,Mei Zhang,Min Guo
Defects in the perovskite films impose a serious issue on the PCE and stability of the SnO 2 based planar perovskite solar cells (SP–PSCs). So far, most researches have focused on regulating the SnO 2 /perovskite interface to improve performance. However, defect passivation of the perovskite/HTM interface is more significant and potential. Herein, the non-toxic and cheap choline chloride was performed to passivate multiple defects of the MAPbI 3 /HTM interface in ambient atmosphere. An optimal PCE of 19.93% (the average PCE was 18.60%) was obtained for the passivated device. Furthermore, the effect and mechanism of choline chloride on the humid and thermal stability of the SP-PSCs was investigated in detail. The passivated device without encapsulation retained 91% of its initial efficiency after 20 days in humid environment (20 ± 5 °C, 55 ± 5% RH) and 95% of the initial value under heating for 7 cycles (85 °C). Chloride ions with smaller radius and larger electronegativity formed stronger ionic bonding with Pb 2+ to passivate I − vacancy defects , while choline ions passivated MA + vacancies. This work not only provides guidance for fabrication of an efficient and stable device in air, but also opens an avenue to understanding of relation between stability and defects in the SP-PSCs.
研究领域:
材料科学
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能源科学
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DOI
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
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2022
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IF 6.449
Qing Qing,Wenxuan Wu,Xiaoran Tao,Zhuang Ma,Weigang He,Yuheng Tao,Liqun Wang
Aqueous choline chloride/acetone was developed as a green ternary solvent for catalytic conversion of glucose and raw corn stover into 5-HMF. The results illustrated that acidic ChCl solution played a vital role in promoting the tandem isomerization/dehydration reaction of glucose to 5-HMF, while acetone was identified as an efficient extracting solvent to simultaneously remove 5-HMF from the aqueous phase. The composition of the ternary solvent system was found to have a significant impact on the 5-HMF yield, reaction selectivity, and preventing the further degradation of 5-HMF. A competitive 5-HMF yield of 73.3 mol% was achieved from glucose catalyzed by an ultra-low H 2 SO 4 loading of 2 mmol at 190 °C for 10 min in the ternary ChCl-H 2 O-acetone solvent with a mass ratio of 1:2:3. This novel solvent system exhibited good stability, high efficiency, and excellent recyclability, employing in catalytic conversion of both glucose and lignocellulose to produce 5-HMF.
研究领域:
化学工程
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生物质转化
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DOI
高影响因子
MATERIALS RESEARCH INNOVATIONS
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2015
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IF 0.83
X. L. Zou,S. L. Gu,G. Q. Lai,C. Y. Lu,X. L. Xie,X. G. Lu,Z. F. Zhou
The electrodeposition of nano-iron films from Fe2O3 precursor in an ionic liquid composed of 33·3 mol-% choline chloride (ChCl) and 66·7 mol-% ethylene glycol (EG) has been investigated. The electrodeposition process was carried out at 1·5–1·9 V and 60–120°C for 3 hours. The influences of experimental parameters on the electrodeposition process and the morphology of the deposited nano-iron films were studied. The results show that compact and uniform nano-iron (particle size is approximately 100–200 nm) films can be electrodeposited in the Fe2O3-saturated ChCl-EG ionic liquid at 1·8–1·9 V and 60–120°C. The electrodeposition temperature and applied potential have significant influences on the characteristics of the deposited nano-iron films and the electrodeposition process. It is suggested that the controllable electrodeposition process can be used to prepare nano-iron films with various particle sizes from Fe2O3 in CHCl-EG eutectic melt.
研究领域:
材料科学
·
电化学
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DOI
高影响因子
危险品化学品经营许可证（带存储）