JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
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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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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2018
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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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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2019
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IF 2.298
Rongrong Li,Shiyun Zhan,Gang Chen,Yanxian Jin,Binbin Yu,Jia Zhao,Deman Han,Huajun Fan
The solid–liquid solubility of indole-3-acetic acid in pure methanol, ethanol, n-propanol, isopropanol, acetone, n-butanol, acetonitrile, chloroform, ethyl acetate, 1,4-dioxane, N,N-dimethylformamide (DMF), and dimethyl sulfoxide (DMSO) was measured by using a isothermal saturation method. The determination temperature range is from 278.15 to 323.15 K. The order of solubility data from high to low was ethyl acetate > DMSO > DMF > n-butanol > acetone > isopropanol > 1,4-dioxane > n-propanol > ethanol > methanol > acetonitrile > chloroform. Two thermodynamic models (modified Apelblat equation and λh equation) were used to correlate the solubility values of indole-3-acetic acid in different monosolvents, and the two equations can correlate the experimental values very well. The values of root-mean-square deviations (RMSDs) and relative average deviations (RADs) between the experimental and calculated solubility values were not exceeding 0.27 × 10–6 and 0.75 × 10–2, respectively. In order to study the effect of solvation interaction on solubility, the solute–solvent and solvent–solvent interactions were discussed.
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
JOURNAL OF MOLECULAR LIQUIDS
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2020
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IF 5.065
Kui Wu,Yajun Li
The synthesis and separation processes of chemical intermediate is based on the knowledge of its solid-liquid phase equilibrium with solvents in industry. In this work, the solubility of 2-chlorobenzenesulfonamide in 16 single pure solvents including methanol, ethanol, n -propanol, isopropanol, n -butanol, isobutanol , acetone, 2-butanone, 2-pentanone, cyclohexanone , cyclopentanone , ethyl acetate , methyl acetate , ethyl formate , acetonitrile and tetrahydrofuran was determined at temperature range from 273.15 to 324.65 K and atmospheric pressure. The mole fraction solubility of 2-chlorobenzenesulfonamide in all selected mono solvents was enhanced by an increase in temperature. In addition, the experimental data were further correlated by the modified Apelblat equation, λh equation, NRTL model and Wilson model. The values of RAD with NRTL equation were smaller than those with other three models, and thus the NRTL model offered the best fitting performance. The thermodynamic functions of dissolution including enthalpy, entropy, and Gibbs energy were derived, and the results expectedly suggested a spontaneous and entropy-driven mixing process. All the crystallographic and thermodynamic data reported in this study provides the fundamental data for designing and optimizing of the reaction and crystallization processes of 2-chlorobenzenesulfonamide.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
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IF 2
Yuxiang Liu,Hao Wu,Han Yue,Xiwei Hu,Qunsheng Li,Hongkang Zhao
We have determined the solubility of 4,4′-dimethoxybenzophenone (DMBP) in ten monosolvents and three binary solvent mixtures at temperatures ranging from 293.15 to 333.15 K and at atmospheric pressure. The solubility of DMBP in both monosolvents and binary solvent mixtures increases with temperature. The solubility of DMBP is greatest in the solvent benzene and lowest in the solvent methanol. The Apelblat equation is the most suitable equation for DMBP in both monosolvents and binary solvent mixtures, based on the results of our solubility experiment data and the data calculated by the thermodynamic models. The outcomes of the KAT-LSER model indicate that π* and δH play a prominent role in the dissolution behavior of DMBP. The mixing thermodynamic properties (ΔmixG, ΔmixH, and ΔmixS) demonstrate that the mixing process of DMBP is an entropy-increasing and spontaneous process, and whether the process absorbs heat or not is related to the properties of the solvents.
研究领域:
化学
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物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
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IF 2
Pengjun Yao,Farao Zhang,Yang Yu
In this paper, the mole fraction solubility of 2-hydrazino-4-methylbenzothiazole (MHB) in acetone, toluene, methanol, ethanol, water, ethyl acetate, n-propanol, isopropanol, 1-butanol, and methanol/ethanol/n-propanol/acetone + water was determined by the isothermal saturation method at 273.15 to 318.15 K under 101.2 kPa. Meanwhile, high-performance liquid chromatography was used to detect the solubility of MHB. The mole fraction of MHB increased with the increase of temperature in monosolvents, and the composition of solvent mixtures also played a decisive role in the solubility of MHB in mixed systems. Then, four models for five monosolvents (Apelblat, van’t Hoff, λh, NRTL, and the Jouyban model) and three models for mixed solvents [Jouyban–Acree (J–A), van’t Hoff–Jouyban–Acree (V–J–A), and modified Apelblat–Jouyban–Acree (A–J–A) model] were utilized to correlate the mole fraction of MHB. The maximum deviations [relative average deviation (RAD) and root-mean-square deviation (RMSD)] between the experimental data and the solubility data calculated by the models for monosolvents were 7.13% and 6.11 × 10–4 (from the Jouyban model in pure ethyl acetate), respectively. The maximum RAD and RMSD for mixed systems were 1.58% (from the A–J–A model in methanol + water) and 1.35 × 10–4 (from the J–A and A–J–A models in acetone + water), respectively.
研究领域:
化学工程
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药物化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
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IF 2.323
Yüfang Wu,Xiaolu Zhang,Yanchao Di,Yu Kang,Li Bai
The solubility of p-toluenesulfonamide and o-toluenesulfonamide in seven monosolvents of methanol, ethanol, n-propanol, isopropanol, n-butanol, acetonitrile, and ethyl acetate were measured by using the isothermal saturation method at temperatures ranging from 283.15 to 318.15 K under 101.3 kPa. The mole fraction solubility of p-toluenesulfonamide and o-toluenesulfonamide in those selected monosolvents increased with the increase in temperature. The maximum mole fraction solubility of o-toluenesulfonamide was observed in ethyl acetate (0.07748 at 318.15 K), followed by that in acetonitrile (0.07368 at 318.15K), methanol (0.05790 at 318.15 K), ethanol (0.04564 at 318.15 K), n-propanol (0.04271 at 318.15 K), isopropanol (0.04142 at 318.15 K), and n-butanol (0.03879 at 318.15 K). For p-toluenesulfonamide + solvents systems, the maximum mole fraction solubility was observed in acetonitrile (0.1588 at 318.15 K), followed by that in ethyl acetate (0.1329 at 318.15K), methanol (0.1043 at 318.15 K), ethanol (0.09142 at 318.15 K), n-propanol (0.06888 at 318.15 K), isopropanol (0.05092 at 318.15 K) and n-butanol (0.05645 at 318.15 K). The measured solubility data were correlated and calculated by using the modified Apelblat equation, Buchowski–Ksiazaczak λh equation, Wilson model, and NRTL model. The largest values of relative average deviations (RAD) and the root-mean-square deviations (RMSD) between the experimental and calculated solubility were 0.87 × 10–2 and 8.46 × 10–4, respectively. On the basis of the obtained solubility, the standard enthalpy of solution (ΔHsolo), the standard Gibbs energy (ΔGsolo) of solution, and the standard entropy of solution (ΔSsolo) of p-toluenesulfonamide and o-toluenesulfonamide dissolved in monosolvents were calculated. The results show that the dissolution of p-toluenesulfonamide and o-toluenesulfonamide in these monosolvents is a spontaneous process. The correlation and curve fitting results indicated good correlation of the experimental solubility data of p-toluenesulfonamide and o-toluenesulfonamide with the modified Apelblat model. Therefore, the experimental solubility and correlation equations established in this study can be useful in the crystallization, purification in laboratories, and related industries.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
Advanced Energy Materials
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2025
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IF 26
Jia-Xin Guo,Chang Gao,Yun-Fei Du,Feng Jiang,Nai-Lu Shen,Wen-Bo Tang,Xin Shen,Xin-Bing Cheng,Yuping Wu
Solvents in liquid and gel polymer electrolytes are recognized for contributing to high ionic conductivity in high-energy-density lithium metal batteries. However, parasitic reactions involving solvents and lithium metal induce safety risks under thermal abuse conditions and poor lifespan during room-temperature cycles, which are rarely investigated. This study introduces a thermoresponsive mono-solvent electrolyte as a built-in safety switch. The mono-solvent electrolyte polymerizes at elevated temperatures, creating a passivate polymer network without residue solvents. The polymer exhibits high thermal stability with 91% mass retention at 200 °C and significantly suppresses side reactions between lithium metal and the electrolyte, reducing thermal runaway risks. Ah-level Li||LiNi 0.8 Co 0.1 Mn 0.1 O 2 pouch batteries employing this electrolyte can efficiently improve the critical temperature of thermal runaway by 75 °C compared to the thermoresponsive gel polymer electrolyte. At ambient temperatures, the electrolyte promotes the formation of a stable solid electrolyte interphase (SEI) rich in LiF and Li 2 O, effectively reducing side reactions and dendrite growth on the lithium anode. Consequently, Li||LiNi 0.5 Co 0.2 Mn 0.3 O 2 cells retain 91% capacity after 152 cycles, even under high-loading cathodes (19.7 mg cm −2 , 3 mAh cm −2 ). This research offers valuable insights into inhibiting parasitic reactions during the electrochemical cycle and thermal runaway, enhancing the lifespan and safety of high-energy-density batteries.
研究领域:
材料科学
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电化学
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能源存储
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2023
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IF 2.6
Xiaotong Yang,Jidong Wang,Miao Ma,Dongxu Wang,Jinliang Wu,Zhong Zhao
In this paper, the solubility of terbinafine hydrochloride in 13 mono-solvents was measured in the temperature range from 283.15 K to 323.15 K at ambient pressure with the assistance of a laser-based dynamic solubility-monitoring device. It was concluded that the solubility of terbinafine hydrochloride in these mono-solvents increases with rising temperature. At 323.15 K, the molar solubility shows the following order: cyclohexanol (7.739 × 10–2) > n-propyl alcohol (7.351 × 10–2) > n-amyl alcohol (6.967 × 10–2) > iso-butanol (6.932 × 10–2) > n-butanol (6.850 × 10–2) ≈ ethanol (6.778 × 10–2) > isoamyl alcohol (4.926 × 10–2) >1-hexanol (4.689 × 10–2) > dimethyl sulfoxide (4.010 × 10–2) > sec-butanol (2.878 × 10–2) > isopropyl alcohol (2.452 × 10–2) > isooctyl alcohol (2.211 × 10–2) > acetonitrile (0.532 × 10–2). Subsequently, the relationship between the solubility of terbinafine hydrochloride and temperature was correlated by six models (Apelblat, van’t Hoff, λh, Wilson, NRTL, and Jouyban models), and the mixing thermodynamic properties of the solutions were evaluated with the solubility and the parameters simulated by the Wilson model. In addition, the solvent effect on the solubility of terbinafine hydrochloride was discussed based on the Kamlet–Abboud–Taft linear solvation energy relationships.
研究领域:
药物化学
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物理化学
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热力学
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溶剂化科学
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产品关联
DOI
高影响因子
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