ACS Applied Materials & Interfaces
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2024
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IF 8.3
Yiran Miao,Pengyun Yu,Fan Yang,Yueting Zhao,Haiyan Xu,Jianping Wang
In sodium-ion batteries (SIBs), the performance of a single solvent often does not meet actual requirements and a cosolvent or nonsolvating solvent is needed. However, the effect of these electrolyte additives on the solvation structure and dynamics of Na+ in SIBs is yet to be fully understood. Herein, electrolyte structural dynamics are examined for NaPF6 in dimethyl carbonate (DMC) with 1,1,2,2-tetrafluoro-2,2,2-trifluoroethoxy ethane (HFE) as the nonsolvating solvent or propylene carbonate (PC) as the cosolvent using steady-state and time-resolved infrared (IR) spectroscopies. Molecular dynamics simulations show that the solvation size of Na+ decreases with a loosened structure upon adding the nonsolvating solvent, whereas its first solvation shell becomes denser and the second one becomes softened with decreased participation of the PF6– anion upon adding the cosolvent. While a decreased participation of DMC in the solvation layer of Na+ is suggested by linear IR results, an increased structural inhomogeneity (and hence overall more dynamical fluctuations) is found for Na+-coordinated DMC upon adding both additives by two-dimensional (2D) IR spectroscopy where the carbonyl stretch is used as a probe. The Na+/DMC/PC complex is found to structurally evolve slower than both Na+/DMC and Na+/DMC/HFE complexes on the picosecond time scales by spectral diffusion dynamics extracted from 2D IR diagonal signals. Frontier orbital theory calculations also indicate that both solvent additives are beneficial to increasing the stability of PF6–. The results obtained in this work provide important insights into the roles played by the solvent additives in influencing the solvation structures and dynamics of Na+, which are critical for understanding the Na+ transfer mechanism in SIBs.
研究领域:
化学
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材料科学
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PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
·
IF 2
Wanyu Gao,Yuan Gao,Ziping Yin,Yanfei Sun,Yu Zhang,Longyi Zhu,Jun Luo
The solubility of 3,4-bis(4′-aminofurazan-3′-yl)furoxan (BAFF) was determined in ten pure solvents (dichloromethane, 1,2-dichloroethane, cyclohexane, water, methanol, ethanol, n-propanol, isopropanol, n-butanol, and ethyl acetate) as well as three binary solvent mixtures (methanol/water, ethanol/water, ethyl acetate/1,2-dichloroethane) over various temperature ranges (283.15 to 353.15 K). The measurements were conducted by using a static analytical method under atmospheric pressure. During the temperature ranges investigated, it was observed that the solubility of BAFF increased with the increase in the temperature in all selected solvents. Among the ten pure solvents, ethyl acetate has the highest solubility, while methanol, ethanol, n-butanol, and isopropanol have moderate solubilities. Water, 1,2-dichloroethane, and dichloromethane have relatively low solubilities, while in the binary solvent systems, the solubility of BAFF decreased with increasing the mole fraction of antisolvent (water or 1,2-dichloroethane) at given temperature. Moreover, the experimental solubility data in pure solvents were correlated using the modified Apelblat equation, the λh equation, and two local composition models (Wilson model and NRTL model). Additionally, the modified Apelblat equation, CNIBS/R-K model, Jouyban-Acree model, and multicomponent NRTL model were successfully employed to correlate the experimental solubility in mixed solvent systems. Furthermore, based on the experimental data and the NRTL model, the dissolution thermodynamic properties of BAFF in both pure and binary solvents were calculated and analyzed. These properties include the dissolution Gibbs energy, enthalpy, and entropy. These data indicate that the dissolution process of BAFF is endothermic and spontaneous.
研究领域:
化学
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物理化学
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材料科学
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高影响因子
RSC Advances
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2020
·Vol. 10
·期 22
·12953-12961
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IF 3.119
Yunfeng Liu,Zhengsong Qiu,Hanyi Zhong,Xin Zhao,Weian Huang,Xijin Xing
Solvent extraction is commonly used to separate mixtures of hydrocarbons and their derivatives, and solvent choice is strongly influenced by the affinity to the target component, cost and safety. Nitrogen-containing switchable solvents can switch from water-immiscible form to water-miscible bicarbonate salts when CO2 is injected and back to water-immiscible form when N2 is injected. Switchable solvents, as a type of recyclable green solvent, can be used not only to separate such mixtures but also to reduce process costs. Herein, four switchable solvents, namely, dipropylamine, di-sec-butylamine, N,N-dimethylcyclohexylamine (CyNMe2), and N,N,N′,N′-tetraethyl-1,3-propanediamine (TEPDA), were employed to separate benzene/cyclohexane, ethyl acetate/acetonitrile, and ethyl acetate/n-heptane mixtures, and the corresponding partition and selectivity coefficients were determined. In all cases, separation selectivity increased in the order of dipropylamine < di-sec-butylamine < CyNMe2 < TEPDA, i.e., TEPDA was best suited for the separation of hydrocarbons and their derivatives. In addition, cycling experiments revealed that the TEPDA can be re-used at least 15 times and was well suited for industrial applications. In the end, the mechanism of the separation was put forward.
研究领域:
化学工程
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环境科学
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DOI
PubMed
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
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2013
·Vol. 42
·期 8
·1591-1601
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IF 1.128
Yang Wenge,Jiang Xinmin,Hu Yonghong,Shi Ying,Sun Huiling,Li Yonglan
The solubility of fumaric acid in aqueous alcohol solutions was experimentally measured over the temperature range of (278.15–333.15) K by employing an analytical stirred-flask method. The experimental data showed that the solubility of fumaric acid in the binary mixtures increases with increases of both temperature and mass fraction of the organic solvents. The experimental data were well correlated with the modified Apelblat equation and the Buchowski–Ksiazaczak λh equation. In addition, the calculated solubilities showed good agreement with the experimental results. It was found that the modified Apelblat equation gave better correlation results than the Buchowski–Ksiazaczak λh equation. The experimental results should be useful for optimizing the process of purification of fumaric acid in industry.
研究领域:
化学工程
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工业化学
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DOI
高影响因子
Small
·
2024
·Vol. 20
·期 49
·2407484
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IF 13
Lin Xie,Yihong Liang,Jialin Wang,Wanbao Wu,Jichuan Zhang,Jiaheng Zhang
Proper design of the solvation structure is crucial for the development of lithium metal batteries (LMBs). In this paper, the use of 1,2-Dimethoxyethane (DME) as a non-solvating cosolvent in amide-based eutectic electrolytes is proposed to address challenges related to high viscosity, high polarization, and low conductivity, thus enhancing the compatibility with lithium metal anodes. Through physical characterization combined with simulation calculations the existence of a weak interaction between DME and anions is confirmed, which promotes the dissociation of lithium salts and increases the Li + transference number and diffusion coefficient, thus improving the fast charging performance of eutectic electrolytes. In addition, stable SEI layer enriched with inorganic components is formed during the cycling process, resulting in uniform and dense lithium deposition. The fast charging performance of the cell can be effectively improved by utilizing the interaction between anions and solvents. The LiFePO 4 (LFP)||Li cell has a capacity retention of 97% after 1200 cycles at 5 C and also performs well at high temperature of 50 °C. Overall, the use of a non-solvating cosolvent in eutectic electrolytes presents a promising and innovative approach for enhancing electrolyte performance in LMBs.
研究领域:
材料科学
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电化学
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PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
·
IF 2.323
Yang Yang,Weiwei Tang,Xiaona Li,Dandan Han,Yumin Liu,Shichao Du,Teng Zhang,Shiyuan Liu,Junbo Gong
The solubility of benzoin in monosolvents (acetone, ethyl acetate, methanol, ethanol, 1-propanol, and 1-butanol) and binary solvent mixtures (ethyl acetate + methanol, ethyl acetate + ethanol) was measured using UV–vis spectroscopy at temperatures ranging from 283.15 K to 323.15 K. It can be seen from the data that the solubility of benzoin increases expectedly as temperature increases in a given solvent or solvent mixture, the solubility in acetone is maximum among six monosolvents which could be well explained by the existence of strong H-bonds, rather than the “like dissolves like” rule. In binary solvent mixtures, the solubility reaches maximum when the mole fraction of methanol is 0.1 in ethyl acetate + methanol mixed solvents, while the maximum exhibits at 0.2 of mole fraction of ethanol in ethyl acetate + ethanol. The solubility parameter was interpreted as the cosolvency of benzoin solubility in binary solvent mixtures. The solubility data were correlated by modified Apelbalt equation, CNIBS/R-K equation, λh equation, Jouyban–Acree model, and Van’t–JA equation. Mixing thermodynamic properties were further calculated and discussed regarding their roles in dissolution and solubility.
研究领域:
化学
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药学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2019
·
IF 2.298
Yuwen Fan,Wenjun Zhu,Yonghong Hu,Wenge Yang,Qiang Xu,Xinxin Liu,Bin Heng
In the study, the solubility of l-serine were measured in eight common pure solvents and binary mixed solvents (acetonitrile + water, isopropanol + water, methanol + water, and acetone + water) from 278.15 to 333.15 K under atmospheric pressure by gravimetric method (acetone was measured from 278.15 to 328.15 K). The solubility of l-serine increases with increasing temperature, and the order in eight common pure solvents is water > acetonitrile > methanol > acetone > ethyl acetate > ethanol > n-butanol > isopropanol. In binary mixed solvents, the solubility of l-serine is dependent on temperature and solvent composition. Also, the solubility of l-serine increases with increasing temperature, and it decreases as the concentration of acetonitrile, isopropanol, methanol, or acetone increases at a constant temperature. The experimental data in eight pure solvents were fitted by the modified Apelblat model, Buchowski–Ksiazaczak λh model. The modified Apelblat equation, combined nearly ideal binary solvent/Redlich–Kister (CNIBS/R–K) model, and Jouyban–Acree model were used to correlate the experimental data in four binary solvents. Among the four models, the modified Apelblat model is more suitable with a higher accuracy than the other three models. The experimental data can be used to optimize the industrial manufacturing process of l-serine.
研究领域:
化学工程
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生物化学
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DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
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2023
·
IF 15.1
Weizhi Zhang,Taiyang Zhang,Lixia Qin,Shi-Zhao Kang,Yixin Zhao,Xiangqing Li
The purity of PbI 2 plays a critical role in determining the performance, stability, and reproducibility of perovskite solar cells (PSCs). However, the cost of high-purity PbI 2 is much higher than that of low-purity, and even the expensive high-purity PbI 2 suffers from batch variance issues. Although several purification methods have been developed, the straightforward and rapid purification of PbI 2 remains a challenge. The solar cell efficiency achieved by previous direct purification of PbI 2 is much lower than the state-of-the-art value. Therefore, people still doubt whether the low-purity PbI 2 is eligible for the fabrication of efficient solar cells even after purification. Herein, we report an anti-solvent engineering strategy for the rapid and facile purification of low-purity PbI 2 , which allows us to efficiently eliminate both the insoluble and soluble impurities. Eventually, the formamidinium-cesium (FA 0.95 Cs 0.05 PbI 3 ) PSCs made from directly purified PbI 2 show much enhanced performance and reproducibility. A champion power conversion efficiency of 23.91% is realized, which is the highest value ever reported for PSCs made from purified low-purity PbI 2 . The in-depth PbI 2 purification mechanism is further discussed from the perspective of solvent-coordination and solvent–solvent interactions by combining the donor number (D N ) value of solvents and Hansen solution parameters. The results reveal that the weaker interaction between PbI 2 and solvent, together with the stronger interaction between solvent and anti-solvent, is crucial for achieving successful purification. This study not only provides a simple and rapid method for the purification of PbI 2 but also enhances our understanding of the selective crystallization of PbI 2 and perovskite by elucidating the solvate and de-solvation processes of PbI 2 within the perovskite precursor.
研究领域:
材料科学
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化学工程
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可再生能源
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高影响因子
ACS Nano
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2024
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IF 15.8
Weijie Chen,Dianwei Zhang,Hongwei Fu,Jinfan Li,Xinzhi Yu,Jiang Zhou,Bingan Lu
Ether-based electrolytes are among the most important electrolytes for potassium-ion batteries (PIBs) due to their low polarization voltage and notable compatibility with potassium metal. However, their development is hindered by the strong binding between K+ and ether solvents, leading to [K+–solvent] cointercalation on graphite anodes. Herein, we propose a partially and weakly solvating electrolyte (PWSE) wherein the local solvation environment of the conventional 1,2-dimethoxyethane (DME)-based electrolyte is efficiently reconfigured by a partially and weakly solvating diethoxy methane (DEM) cosolvent. For the PWSE in particular, DEM partially participates in the solvation shell and weakens the chelation between K+ and DME, facilitating desolvation and suppressing cointercalation behavior. Notably, the solvation structure of the DME-based electrolyte is transformed into a more cation–anion–cluster-dominated structure, consequently promoting thin and stable solid–electrolyte interphase (SEI) generation. Benefiting from optimized solvation and SEI generation, the PWSE enables a graphite electrode with reversible K+ (de)intercalation (for over 1000 cycles) and K with reversible plating/stripping (the K||Cu cell with an average Coulombic efficiency of 98.72% over 400 cycles) and dendrite-free properties (the K||K cell operates over 1800 h). We demonstrate that rational PWSE design provides an approach to tailoring electrolytes toward stable PIBs.
研究领域:
材料科学
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电化学
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DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
·
IF 2
Shouxiang Jiang,Kai Fu,Xiangyu Sun,Xin Huang,Wenjun Xie,Chengfei Wang,Haoran Li,Xia Jiang,Yongjin Zou,Gengxiu Zheng,Guan Wang
The solubilities of glutathione in four binary solvent mixtures (water + acetone, water + 1,4-dioxane, water + acetonitrile, and water + tetrahydrofuran) were measured using a dynamic laser monitoring method at temperatures ranging from 278.15 to 318.15 K. The molar fraction solubility of glutathione in the binary solvent increased with increasing water content and temperature. The modified Apelblat, CNIBS/R-K, Van’t Hoff–Jouyban–Acree, Apelblat–Jouyban–Acree, and NRTL were applied to calculate the solubility of glutathione in these mixtures. The relative average deviation and root-mean-square deviation indicated a good correlation between the experimental and model solubility data. In addition, the KAT-LSER model was used to evaluate the solvent effect in the solvent–solvent and solvent–solute interactions. The results showed that the nonspecific dipolarity/polarizability interactions between the solvent and the solute were the main influencing factors, followed by the hydrogen bonding interactions between the solvent and the solute.
研究领域:
药物化学
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物理化学
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高影响因子
ChemSusChem
·
2025
·
IF 6.6
Jie Wang,Chaowu Wang,Qibo Zhang
Graphical The work develops an efficient solvent extraction methodology using Cyanex 272 for the recovery of cobalt from Co(II)-containing waste Ethaline electrolytes, while enabling solvent regeneration. This proposed method provides an economically viable, highly efficient, and environmentally sustainable approach for recovering metal ions from waste deep eutectic solvent (DES) electrolytes. Efficient recovery of metals from secondary resources is essential to address resource shortages and environmental crises. The development of a cheap, environmentally friendly, and highly efficient recovery pathway is essential for resource retrieval. In this study, we propose a high-efficiency extraction approach utilizing bis(2,4,4-trimethylpentyl) phosphonic acid (Cyanex272) to recover cobalt from waste choline chloride/ethylene glycol (Ethaline) electrolyte containing Co(II) ions. By adjusting the water content of the system to modify the ligand of Co(II) ions, combined with pH adjustment, we achieved an extraction efficiency exceeding 99.9 % for Co(II) ions. Subsequently, oxalic acid (OA) was added as a stripping agent to achieve a recovery efficiency of over 99.4 % for cobalt. The extractant can be recycled more than 15 times after stripping. Impressively, more than 98.3 % of the water-diluted Ethaline extraction raffinate was recovered through reduced pressure distillation while maintaining the structure of recovered Ethaline unchanged. This work provides an economical, efficient, and sustainable pathway for treating waste Ethaline electrolyte-containing metal ions.
研究领域:
环境科学
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材料科学
·
化学工程
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PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2018
·
IF 2.196
Yanxiao Zhao,Haiyan Yang,Zeren Shang,Tingting Gong,Xu Zhang,Songgu Wu
Glibenclamide (GCM) is an oral antihyperglycemic drug and widely used to treat type-II diabetes. The quality of the GCM product impacts the efficacy of the medicine. However, the quality of the product is determined by the crystallization process, in which the solubility property plays a significant role. In this study, GCM solubility in 11 monosolvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, acetone, acetonitrile, methyl isobutyl ketone, methyl acetate and ethyl acetate) and (acetone + acetonitrile) binary solvents, has been determined through a gravimetric method from 283.15 K to 323.15 K. It elucidates that GCM has the highest solubility in acetone among the 11 monsolvents. Meanwhile, the solubility of GCM in (acetone + acetonitrile) binary solvents increases when the mole fraction of acetone rises. Then, we correlated the solubility data in monosolvents using the modified Apelblat model and nonrandom two-liquid (NRTL) model. Besides, the modified Apelblat model, the CNIBS/R-K model, Jouyban–Acree model, and NRTL model were adopted to fit the data in (acetone + acetonitrile) mixture solvents. Furthermore, thermodynamic properties were calculated on the basis of the NRTL model.
研究领域:
药物化学
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物理化学
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高影响因子
危险品化学品经营许可证（带存储）