Prediction of vapor-liquid equilibrium （VLE） is extremely necessary to separate liquid mixture in chemical production, especially when the required experimental data are difficult to measure, or the measurement is n...Prediction of vapor-liquid equilibrium （VLE） is extremely necessary to separate liquid mixture in chemical production, especially when the required experimental data are difficult to measure, or the measurement is not economical. The infinite dilution activities can be used to predict VLE. However, it needs both the ends of the activities that are difficult to obtain for many systems. In the present study, a new model is proposed for correlating the frequency shift of C-H stretching band of IR spectra over the whole concentration. Investigated mixtures in- clude water/2-propanol, water/N, N-dimethylformamide （DMF）, water/methanol, water/ethanol, water/1, 4-dioxane, and water/dimethylsulfoxide （DMSO） systems. Simultaneous correlations of C--H frequency shift and VLE data are made. Furthermore, the VLE data were predicted with satisfactory results by the parameters obtained from IR spectra coupled with one ot the intinite chlution activity coefficients.展开更多
This paper presents the vapor–liquid equilibrium(VLE) data of acetonitrile–water system containing ionic liquids(ILs) at atmospheric pressure(101.3 k Pa). Since ionic liquids dissociate into anions and cations, the ...This paper presents the vapor–liquid equilibrium(VLE) data of acetonitrile–water system containing ionic liquids(ILs) at atmospheric pressure(101.3 k Pa). Since ionic liquids dissociate into anions and cations, the VLE data for the acetonitrile + water + ILs systems are correlated by salt effect models, Furter model and improved Furter model. The overall average relative deviation of Furter model and improved Furter model is 5.43% and 4.68%, respectively. Thus the salt effect models are applicable for the correlation of IL containing systems. The salting-out effect theory can be used to explain the change of relative volatility of acetonitrile–water system.展开更多
基金Supported by the National Natural Science Foundation of China (No.20573093 and No.20434020).
文摘Prediction of vapor-liquid equilibrium （VLE） is extremely necessary to separate liquid mixture in chemical production, especially when the required experimental data are difficult to measure, or the measurement is not economical. The infinite dilution activities can be used to predict VLE. However, it needs both the ends of the activities that are difficult to obtain for many systems. In the present study, a new model is proposed for correlating the frequency shift of C-H stretching band of IR spectra over the whole concentration. Investigated mixtures in- clude water/2-propanol, water/N, N-dimethylformamide （DMF）, water/methanol, water/ethanol, water/1, 4-dioxane, and water/dimethylsulfoxide （DMSO） systems. Simultaneous correlations of C--H frequency shift and VLE data are made. Furthermore, the VLE data were predicted with satisfactory results by the parameters obtained from IR spectra coupled with one ot the intinite chlution activity coefficients.
基金Supported by the National Natural Science Foundation of China(21306036)the Youth Scholars of Educational Commission of Hebei Province of China(Y2012040)the Joint Specialized Research Fund for the Doctoral Program of Higher Education(20131317120014)
文摘This paper presents the vapor–liquid equilibrium(VLE) data of acetonitrile–water system containing ionic liquids(ILs) at atmospheric pressure(101.3 k Pa). Since ionic liquids dissociate into anions and cations, the VLE data for the acetonitrile + water + ILs systems are correlated by salt effect models, Furter model and improved Furter model. The overall average relative deviation of Furter model and improved Furter model is 5.43% and 4.68%, respectively. Thus the salt effect models are applicable for the correlation of IL containing systems. The salting-out effect theory can be used to explain the change of relative volatility of acetonitrile–water system.
