ACS Omega
·
2025
·
IF 4.3
Zixi Wu,Chunxiang Huang,Leyi Li,Jinxiang Cao,Yingjie Liu,Qing Ye,Jinlong Li
The paper presents experimentally determined solubility results of lithium bromide in ionic liquid + water and assesses the effect of the addition of ionic liquids (ILs) on the solubility of lithium bromide (LiBr) in water. The solubility of LiBr in pure water has been determined and compared to the literature data. It is known that LiBr aqueous solutions are widely used as working fluids in low-temperature thermal energy recovery systems. However, the aqueous LiBr solution is easy to crystallize, which could cause equipment corrosion. One of the possibilities for improving the properties of the H2O/LiBr refrigerant system is the use of an additive to increase the solubility of LiBr in water. Three ILs were selected as an additive: 1-ethyl-3-methylimidazolium acetate ([EMIM][OAc]), 1-ethyl-3-methylimidazolium bromide ([EMIM]Br), and 1-butyl-3-methylimidazolium bromide ([BMIM]Br). In this study, new empirical parameters for the calculation of LiBr solubility in water were provided. A reasonable prediction of phase equilibrium data is made using the COSMO-SAC model. The NRTL equation is also calculated. The maximum deviation of COSMO-SAC is 7.56%, and the deviation of the other calculations is less than 2%. These experimental and theoretical findings offer valuable insights into the selection and optimization of working fluids in absorption cycle systems.
研究领域:
化学工程
·
热力学
·
材料科学
·
物理化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FLUID PHASE EQUILIBRIA
·
2018
·
IF 2.197
Ruiqi Qiao,Kun Yue,Chengjingyan Luo,Junsu Jin,Zhongqi Ren,Qunsheng Li
Isobaric vapor - liquid equilibrium (VLE) data for the binary system of ethanol + dimethyl carbonate (DMC) and the ternary systems of ethanol + DMC + 1-hexyl-3-methylimidazolium bis[(trifluoromethyl) sulfonyl] imide ([HMIM][NTf 2 ]) and ethanol + DMC + 1-butyl-3-methylimidazolium bis[(trifluoromethyl) sulfonyl] imide ([BMIM][NTf 2 ]) were obtained by using a modified Othmer still at a constant pressure of 101.3 kPa. The experimental results indicated that both [HMIM][NTf 2 ] and [BMIM][NTf 2 ] had a notable effect on the azeotropic system of ethanol - DMC. The NRTL model was used in this work to correlate VLE data and the calculated data agreed well with the experimental value. The minimum mole fractions of [HMIM][NTf2] and [BMIM][NTf2] needed to eliminate azeotrope were 0.125 and 0.170 calculated by NRTL model, respectively. And the [HMIM][NTf2] was found to be a better candidate of entrainer for separating the ethanol - DMC azeotrope.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2018
·
IF 2.196
Liping Wang,Saisai Zhou,Pan Li,Pengzhou Li,Qingsong Li,Yingmin Yu
Polyoxymethylene dimethyl ethers (DMMn) have attracted particular attention in industry as excellent oxygenated fuel additives. This study aims to reveal the liquid–liquid equilibrium (LLE) values regarding ternary mixtures {water + methylal (DMM1) + 4-methyl-2-pentanol (MIBC)}, {water + DMM2 + MIBC}, {water + DMM3 + MIBC}, and {water + DMM4 + MIBC} at 298.2 and 308.2 K under 101.3 kPa. Distribution factor and selectivity were utilized to assess the extracting capabilities of the selected extractant. The well known Hand equation and Othmer–Tobias equation were utilized to test the consistency of the LLE values. In addition, the experimental results were correlated by the UNIQUAC and NRTL thermodynamic models with all of the root-mean-square deviation values less than 0.0127,which indicated that both models agree well with the experimental tie-line data.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
·
2019
·Vol. 138
·期 2
·1251-1257
·
IF 2.471
Wang Yanfei,Liu Xiaoyu,Zhao Xiaoyu,Chen Zhao,Yang Libin,Zhu Liang
Solid–liquid-phase equilibrium is an important part of chemical thermodynamics, and its basic theoretical research plays a vital role in the advancement of the chemical industry. Solid–liquid equilibria for binary mixtures of 3-nitrotoluene and 4-nitrotoluene were measured using differential scanning calorimetry under atmospheric pressure (101.3 kPa). The results showed that the phase diagram of the 3-nitrotoluene + 4-nitrotoluene binary system presented a eutectic behavior, and the eutectic point was x 1 = 0.6487, T E = 272.15 K. Furthermore, the experimental results were correlated with Wilson and nonrandom two-liquid (NRTL) activity coefficient models well. The relative standard deviations were 0.496 and 0.236, respectively, and the absolute mean deviations were 0.005 and 0.001, respectively.
研究领域:
化学热力学
·
化工工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Yajun Li,Xiaofang Li,Kui Wu
In this work, the solubility of N,N-dibenzylhydroxylamine (DBHA) in 17 pure solvents, including methanol, ethanol, n-propanol, n-butanol, acetone, ethyl acetate, dichloromethane, acetonitrile, isopropanol, n-octanol, cyclohexanone, 1,2-dichlorobenzene, toluene, isobutanol, n-pentanol, 1,2,4-trichlorobenzene, and tetrahydrofuran, was determined by a static gravimetric method with the temperature ranging from 273.15 to 323.35 K under atmospheric pressure. The solubility of DBHA was positively related to temperature in all selected solvents. Besides, the experimental solubility data were correlated with four thermodynamic models, i.e., the modified Apelblat equation, λh equation, nonrandom two-liquid (NRTL) equation, and the Wilson equation. The results indicated that all of the models could give satisfactory results and the NRTL equation provided the best fitting result. Furthermore, the dissolution thermodynamic parameters in the used solvents, including the Gibbs energy (ΔdisG), molar enthalpy (ΔdisH), and molar entropy (ΔdisS), were calculated according to the Wilson model, and it turned out that the dissolution process of DBHA was endothermic.
研究领域:
物理化学
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
FLUID PHASE EQUILIBRIA
·
2015
·
IF 2.2
Zhixian Huang,Ling Li,Miaomiao Zhou,Haiming Jiang,Ting Qiu
Vapor–liquid equilibrium data for ethyl trifluoroacetate + trifluoroacetic acid , ethyl trifluoroacetate + ethanol, and trifluoroacetic acid + water at the pressure 101.3 kPa were measured with a modified Rose still. The thermodynamic consistency of the VLE data was confirmed by Herrington’s method. The VLE data were correlated by the NRTL and Wilson models with satisfactory results, and the interaction parameters of these mixtures were estimated.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2022
·
IF 3.269
Song Lin,Houchun Yan,Yueyang Jiang,Hongyue Guo,Yicong Zhao,Mai Han,Qingsong Li
The liquid–liquid equilibrium (LLE) data of water, 2,2,2-trifluoroethanol (TFE) and different solvents {1-hexanol, 1-pentanol, 1-octanol and 2-octyl alcohol} were measured at 303.2 K under 101.3 kPa. The distribution coefficient (D) and selectivity factor (S) were calculated, and the results showed that the four extractants had good separation effects. The experimental data were successfully correlated by the two thermodynamic models of NRTL and UNIQUAC. In addition, the binary interaction parameters were obtained. The root mean square deviation (RMSD) of the fitting results were all less than 0.6%. The GUI-MATLAB was used to verify the consistency of the binary interaction parameters calculated by the thermodynamic models.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
TRANSACTIONS OF TIANJIN UNIVERSITY
·
2020
·Vol. 27
·期 6
·460-472
·
IF 0
Wei Hongyuan,Gao Ningcan,Dang Leping
In this work, a new crystallization method was used to prepare two polymorphs of sulfamethazine–saccharin (SMT–SAC) cocrystal in bulk. The purity and crystal form of both polymorphs were confirmed by optical microscopy, scanning electron microscopy, powder X-ray diffraction, differential scanning calorimetry, and thermogravimetric analysis. Moreover, the solubility of the stable form (form II) was determined by gravimetric analysis in nine pure solvents and one binary (acetonitrile + 2-propanol) solvent at temperatures ranging from 278.15 to 348.15 K at atmospheric pressure. Experimental data were correlated using the modified Apelblat model, the λh equation, the nonrandom two-liquid (NRTL) model, the Jouyban–Acree model, and the CNIBS/Redlich–Kister model. Finally, the apparent thermodynamic properties, such as \(\Delta_{\text{dis}} G\) , Δ dis H , and Δ dis S , were calculated on the basis of the activity coefficient obtained by the NRTL model. All the models correlate well, and all the experimental and calculated results indicate that the dissolution behavior of SMT–SAC cocrystal form II is a spontaneous, endothermic, and entropy-driven process.
研究领域:
药学
·
物理化学
✓ 已验证
DOI
FLUID PHASE EQUILIBRIA
·
2021
·
IF 2.775
Zhendong Wang,Shuo Chen,Bingxiao Feng,Hongbing Song,Meng Xiao,Hengjun Gai,Tingting Huang
Extracting phenol from coal tar has great economic significance. In this paper, a process for separating phenol from coal tar using mono-ethanolamine (MEA) as extractant was proposed, the conceptual design and optimized of the process was carried out by using Aspen Plus software. To ensure the accuracy of simulation, the vapor-liquid equilibrium data of MEA + phenol binary system were measured under different pressures. The binary interaction parameters of NRTL model, Wilson model and UNIQUAC model were fitted with the experimental data by data regression system. The results show that the deviation of NRTL model is less than that of Wilson model and UNIQUAC model. Considering that the boiling point difference between MEA and phenol is only 10°, two energy-saving schemes of double effect distillation are introduced into the conceptual process proposed in this paper, which can save 20% and 44.8% respectively compared with the traditional single tower distillation process . This paper provides reference for the industrial application of MEA in the extraction of phenol from coal tar.
研究领域:
化学工程
·
分离科学
·
热力学
·
能源化工
·
工业催化
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Yaqiong Zhao,Hongwei Kang,Yuming Tu,Qunsheng Li,Chencan Du,Zhongqi Ren
Separation of hydrocarbon mixtures is essential for the efficient utilization of resources in the chemical industry. In this study, we investigated the vapor–liquid equilibrium (VLE) behavior of two binary systems, toluene + heptane and benzene + cyclohexane, and examined the application of the biobased solvent, Cyrene, as an extractant in the ternary systems. The vapor–liquid-phase equilibrium data were correlated by a nonrandom two-liquid (NRTL) model, and the results showed that the addition of Cyrene significantly increased the relative volatility of the two binary systems up to 3, and the deviation of all systems was less than 5%. Compared with conventional organic solvents such as SUL, DMSO, NMP, and DMF, Cyrene not only demonstrated good separation performance but also offered significant advantages in terms of environmental sustainability. The results suggest that Cyrene has great potential as a green alternative for sustainable hydrocarbon separation processes.
研究领域:
化学工程
·
热力学
·
分离过程
·
绿色化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2019
·
IF 2.298
Chaochen Du,Zhiping Du,Bingwen Long,Hongmei Du,Zhiguo Yan,Xia Yin
Carbonate esters and esters are widely used in the pharmaceutical industry. It is important to enrich the vapor–liquid equilibrium (VLE) database of these components. In this article, the isobaric VLE data of three binary mixtures diethyl carbonate (DEC) + methyl acetate, DEC + n-propyl acetate, and DEC + amyl acetate at 100.17 kPa were obtained. The experimental data were tested using the Van Ness consistency test, which indicated that the experimental data satisfy the test for thermodynamic consistency. The activity coefficient models Wilson, NRTL, and UNIQUAC were used to correlate the experimental VLE values to obtain the interaction parameters. The results associated with the three models are in good agreement with the experimental data. The minimum average absolute deviation values of vapor-phase compositions and temperatures for all are 0.0010 and 0.15 K, and no azeotropic behavior was observed in these systems. In addition, the group contribution method was used to fit the group parameters of the vapor–liquid equilibrium data.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2019
·
IF 3.375
Xingang Li,Rui Wang,Yutao Yan,Runnan Zhao,Hong Li,Xin Gao
EG is an important industrial raw material, and the hydrolysis of 2-ethyl-1,3-dioxolane (2ED) to re-obtain EG is a very important step to recover EG from an EG and 1,2-BDO azeotropic mixture via a reversible-reaction-assisted intensification process. The applicability of reactive distillation for 2ED hydrolysis in the presence of KRD-002 ion exchange is studied by experiments and simulations. The reaction kinetics were investigated, and the kinetic parameters were derived. Thermodynamic aspects of the reaction system were discussed, and the NRTL model was built. Pilot-plant reactive distillation experiments were performed using the structured catalytic packing unit (SCPI) with several operating condition variations (reflux ratio (RR), feed mole ratio (FMR), and feed-in style). The experimental results are in good agreement with the simulation results, which prove that the equilibrium stage model can describe the hydrolysis experiments quantitatively. The simulation was subsequently used to determine the influence of important design factors and laid the foundation for industrial application.
研究领域:
化学工程
·
工业催化
✓ 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）