FLUID PHASE EQUILIBRIA
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2014
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IF 2.241
Xiang Liu,Yonghong Hu,Mengmeng Liang,Yonglan Li,Jingjing Yin,Wenge Yang
Data on corresponding solid–liquid equilibrium of maleic anhydride in different organic solvents are essential for industrial design and further theoretical studies. In this study, the solubilities of maleic anhydride were measured in DMF, methanol, acetic acid, acetonitrile , acetone, ethyl acetate , 2-propanol and n-butyl alcohol with the temperature range of 278.15–323.15 K by the analytical stirred-flask method under atmospheric pressure. The experiment results indicated that the solubility of maleic anhydride was highest in DMF and followed by methanol, acetic acid, acetonitrile, acetone, ethyl acetate, 2-propanol and n-butyl alcohol. For the temperature range investigated, the solubilities of maleic anhydride in the organic solvents increased with increasing temperature. Results of these measurements were well-correlated with the modified Apelblat equation, the Buchowski–Ksiazaczak λh equation and the van’t Hoff equation. The calculated solubilities showed good agreement with the experimental data. The modified Apelblat equation was found to regress the solubility data is higher accuracy than the Buchowski–Ksiazaczak λh equation. The experimental data and model parameters would be useful for optimizing the process of purification of maleic anhydride in industry.
研究领域:
化学工程
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物理化学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2023
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IF 2.6
Huiyu Zhao,Feng Wu,Qingwen Han,Chen Wang,Sibei Cao,Jiayu Ma
The solubility of potassium hexafluorosilicate (K2SiF6) in pure water and acid solutions (HCl and H3PO4) was conducted within a temperature range of 5–70 °C by the isothermal method. The stability of K2SiF6 in the systems above was also investigated by analyzing the equilibrium solids obtained in different conditions using X-ray diffraction (XRD), energy dispersive X-ray fluorescence (XRF), scanning electron microscope (SEM), and Fourier transform infrared (FT-IR). The results revealed that the solubility always increases with increasing temperature in all investigated systems. In the presence of hydrochloric acid and phosphoric acid, the solubility first increases and then decreases with the increase of acid concentration due to the increase of H+ concentration in hydrochloric acid, the effect of the stepwise dissociation of phosphoric acid, and the changed average ionic activity in solutions. K2SiF6 is stable in pure water and acid solutions. In addition, the experimental data were successfully correlated by the Apelblat empirical equation.
研究领域:
化学工程
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2021
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IF 2.694
Kui Wu,Xiaofang Li,Lingfeng Xu,Runlin Han,Xiaobing Liu,Yajun Li,Dingwa Zhang,Yan Sui
For the design, optimization, and control of the solution crystallization process of diacetone acrylamide (DAAM), solid–liquid equilibrium data in various solvents are critical. In this work, the solubility of DAAM in 15 pure solvents, such as methanol, ethanol, n-propanol, isopropanol, n-butanol, 1-hexanol, isobutanol, n-pentanol, isopentanol, 2-butanone, acetone, ethyl acetate, 2-pentanone, acetonitrile, methyl acetate, and ethyl formate, is analyzed by a gravimetric method under ambient pressure and temperatures ranging from 272.05 to 323.65 K. The solubility values in all of the solvents are positively correlated with temperature. The solubility of DAAM can be satisfactorily correlated by the Apelblat equation, λh equation, nonrandom two-liquid (NRTL) model, and Wilson model, and the calculated solubility agrees well with the measured results. The obtained maximum relative average deviation (RAD) and root-mean-square deviation (RMSD) are 2.44 × 10–2 (n-propanol, NRTL model) and 2.40 × 10–2 (methanol, λh equation), respectively. The most suitable model is the Apelblat equation.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
THERMOCHIMICA ACTA
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2014
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IF 2.105
Xiang Liu,Mengmeng Liang,Yonghong Hu,Wenge Yang,Ying Shi,Jingjing Yin,Yan Liu
In this study, the solubility of 3-thiophenecarboxylic acid was measured in (water + acetic acid) binary solvent mixtures in the temperature ranging from 283.15 to 338.15 K by the analytical stirred-flask method under atmospheric pressure. The experimental data were well-correlated with the modified Apelblat equation and the λh equation. In addition, the calculated solubilities showed good agreement with the experimental results. It was found that the modified Apelblat equation could obtain the better correlation results than the λh equation. The experiment results indicated that the solubility of 3-thiophenecarboxylic acid in the binary solvents increased with increasing temperature, increases with increasing water contents, but the increments with temperature differed from different water contents. In addition, the thermodynamic properties of the solution process, including the Gibbs energy , enthalpy, and entropy were calculated by the van’t Hoff analysis. The experimental data and model parameters would be useful for optimizing the process of purification of 3-thiophenecarboxylic acid in industry.
研究领域:
化学工程
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
FLUID PHASE EQUILIBRIA
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2013
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IF 2.379
Yumei Kai,Yonghong Hu,Zheng Cao,Xiang Liu,Yan Liu,Wenge Yang
The solubilities of l -malic acid in pure and mixture organic solvents were measured from 278.15 to 323.15 K using the laser monitoring observation system. The modified Apelblat equation, the semi-empirical Buchowski–Ksiazczak λh equation and the Combined Nearly Ideal Binary Solvent/Redlich (CNIBS/R-K) equation were proposed to correlate the experimental data. In pure and mixed solvents, the 100RD (relative deviation) <3.61 and 7.58, respectively, the 10 4 RMSD (root-mean-square deviations) <3.07 and 2.28, respectively, so the equations selected in this work fit the data very well. Van’t Hoff equation was used to predict the dissolution enthalpy and entropy of l -malic acid in the corresponding solvents.
研究领域:
药物化学
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物理化学
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溶液热力学
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药物结晶
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分子药剂学
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DOI
高影响因子
CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2014
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IF 0.872
Zhijian HE,Xiaomin WANG,Tian YAO,Hang SONG,Shun YAO
Four novel benzothiazolium ionic liquids with PF − 6 ([C 1 Bth][PF 6 ], [C 4 Bth][PF 6 ], [C 5 Bth][PF 6 ] and [C 6 Bth][PF 6 ]) were synthesized, and the rang of their melting points were determined between 358.35 K–424.05 K. The relationship of their melting points and the length of the straight alkyl chain on cation reflected ‘S’ type tendency. Then, the solubilities of the four ionic liquids in six lower alcohols (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol and 2-methyl-1-propanol) were measured in the temperature rang of 253.15–383.15 K at atmospheric pressure with static analytical method, respectively. It was found that [C 6 Bth][PF 6 ] in all investigated ionic liquids had the largest solubility in six alcohols and the solubility of [C 4 Bth][PF 6 ] in methanol was very sensitive for temperature in 313.15–333.15 K, which was so-called “temperature-sensitivity”. This feature is of great significance to their application of catalyzing reaction or extraction process, and makes the recovery and reuse of ionic liquids (ILs) become easier. Moreover, the experimental solubility data were correlated with the modified Apelblat equation and λ h equation, respectively. It was found that the result of correlation using two divided temperature ranges was better than that of using the whole temperature range.
研究领域:
化学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
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IF 2.323
Xiaojun He,Ze Tan,Qinbo Wang,Yinchuan Pei
Mononitro-substituted products derived from the nitration of m-toluic acid are 3-methyl-4-nitrobenzoic acid, 3-methyl-2-nitrobenzoic acid, and 5-methyl-2-nitrobenzoic acid, which are all crucial intermediates of pesticides and medicines. The solubilities of 3-methyl-4-nitrobenzoic acid, 3-methyl-2-nitrobenzoic acid, and 5-methyl-2-nitrobenzoic acid in water, methanol, ethanol, n-propanol, formic acid, acetic acid, and propanoic acid were measured at different temperatures (297.65–351.75 K) and under atmospheric pressure. As expected, the same solute has different solubilities in different solvents, and the dissolved amounts of these three solutes are also diverse in the same solvent. Subsequently the experimental solubility data of three mononitro-substituted products of m-toluic acid nitration in several solvents were correlated with the modified Apelblat equation and the NRTL activity coefficient model, and the calculated values are in excellent agreement with known experimental data in the temperature range studied.
研究领域:
化学工程
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药物化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2022
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IF 3.119
Jingzhou Guo,Junwei Yang,Yuanzuo Zou,Yuan Pu,Dan Wang
The 9,9-Dihexyl-2,7-dibromofluorene (F6-Br) is an important intermediate product in the synthesis of functional polyfluorenes for various applications. The solvent/antisolvent method has been one of the efficient methods to purify organic molecules for advanced applications, for which the solubility data of solutes in different solvents are the basis of purification. In this work, the solubility values of F6-Br in 12 kinds of solvents in the temperature range of 283.15–323.15 K and atmospheric pressure were determined by using the isothermal saturation method. The selected solvents were methanol, ethanol, acetonitrile, n-butanol, isopropanol, dichloromethane, dimethyl sulfoxide, 1,4-dioxane, ethyl acetate, n-hexane, tetrahydrofuran, chloroform, and toluene. The measured solubility data were correlated by the modified Apelblat equation. The maximum value of mean square deviation was 3.95 × 10–3, which retains practical guiding significance. The purification of F6-Br via solvent/antisolvent precipitation processing was demonstrated, and the involvement of rotating packed-bed-based technology significantly intensified the process efficiency, which showed promising application value for industrial production.
研究领域:
化学工程
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材料科学
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有机化学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
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IF 2.1
Jianhui Du,Yunlu Li,Guoliang Jin,Jianlong Wang,Lizhen Chen
2,4,6,8,10,12-Hexacyclopropyl-2,4,6,8,10,12-hexaazaisowurtzitane (HCPIW) is a novel nitration precursor used in the synthesis of CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane). Investigating the solubility of HCPIW is of significant importance for optimizing its synthesis and crystallization processes, as well as for advancing the development of the CL-20 synthetic route. However, to the best of our knowledge, no studies have been reported on the solubility of HCPIW. To support downstream processing, its solubility in 12 pure solvents (dichloromethane, chloroform, carbon tetrachloride, 1,1,2-trichloroethane, 1,2-dichloroethane, n-hexane, cyclohexane, ethyl acetate, acetone, methanol, ethanol, and acetonitrile) was determined by the gravimetric method over the temperature range of 278.15 to 318.15 K. The experimental solubility data were correlated using the Apelblat equation, Yaws model, van’t Hoff equation, and a polynomial empirical model. All four models exhibited excellent agreement with the experimental data, with correlation coefficients (R2) exceeding 0.99 and root-mean-square deviations (RMSD) approaching zero. These models are thus suitable for accurately describing the solubility behavior of HCPIW. This study provides essential thermodynamic data to support further research and process development involving HCPIW.
研究领域:
化学工程
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热力学
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材料科学
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有机合成
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工艺优化
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2015
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IF 2.037
Yijie Deng,Li Xu,Xiaobo Sun,Liang Cheng,Guoji Liu
In this experiment, the solubility data of 4,4′-diaminodiphenylmethane in different pure solvents, including methanol, ethanol, 2-propanol, 1-butanol, toluene, chloroform, and benzene, were measured by a synthetic method from (293.15 to 333.15) K at atmospheric pressure. It is indicated that the solubility of 4,4′-diaminodiphenylmethane in each solvent increases with increasing temperature. The modified Apelblat, λh, and van’t Hoff equations were employed to correlate experimental solubility data, and each selected correlation equation could give a good fitting result of the relationship between solubility and temperature. The modified Apelblat equation shows the best agreement, in general. Furthermore, the standard molar enthalpy, standard molar Gibbs energy, and standard molar entropy of 4,4′-diaminodiphenylmethane in the dissolution process were calculated based on the van’t Hoff analysis and Gibbs equation.
研究领域:
物理化学
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热力学
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化工
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2025
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IF 2.2
Zhengda Zhou,Yuchen Yue,Siyu Wang,Tianxia Guo,Zihang Xu,Chunsong Liu,Yun Gao,Yanan Zhou
In this study, the static method was employed to investigate the solubility of potassium benzoate in ten pure solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, formamide, N , N -dimethylformamide, and N , N -dimethylacetamide, within the temperature range from 282.95 to 317.95 K at atmospheric pressure. The influence of temperature and solvent type on the solubility of potassium benzoate was analyzed. The experimental results revealed that the solubility of potassium benzoate increased with the rising of temperature in all the solvents studied. In addition, the experimental solubility data of potassium benzoate was fitted using the modified Apelblat equation and the λh equation. The calculated data showed that the modified Apelblat equation gave the better results compared to the λh equation. Furthermore, the Hansen solubility parameters and dipole moments were used to elucidate the solubilization behavior of potassium benzoate in various solvents. Finally, the dissolution thermodynamic properties of potassium benzoate including the Gibbs free energy, enthalpy and entropy were calculated based on the experimental solubility data and the van't Hoff equation.
研究领域:
物理化学
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化学热力学
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溶液化学
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药物化学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2016
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IF 2.74
Qian Tan,Yixin Leng,Jun Wang,Chunxiang Huang,Ye Yuan
The solubility data on solid–liquid equilibria (SLE) of racemic tartaric acid in ethanol + water mixtures were measured in the temperature range of (293.15 to 318.15) K at 0.1 MPa by acid–base titration method. In the binary solvent mixtures the solubility of racemic tartaric acid increases with rising temperature and decreases with increasing ethanol content. The modified Apelblat equation, λ h equation and CNIBS/R–K equations were applied to describe and predict the change tendency of solubility. Computational results show that the modified Apelblat equation is superior to the others. Furthermore, a predictive version of the NRTL model was proposed for the description of the non-ideality of the racemic tartaric acid–ethanol–water system. The predicted values were compared with the experimental data. The agreements are good. By using the van't Hoff equation the molar enthalpy, entropy and Gibbs free energy changes of solution were calculated. A linear ∆ sol H versus ∆ sol S compensation plot with a positive slope was obtained by means of enthalpy–entropy compensation effect.
研究领域:
化学工程
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物理化学
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热力学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）