利用二元体系的C H红外光谱推算汽液平衡数据

摘要/Abstract

摘要： 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 of the infinite dilution activity coefficients.

关键词: IR;vapor liquid equilibrium;infinite dilution activity coefficient;binary aqueous system

Abstract: 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 of the infinite dilution activity coefficients.

Key words: IR, vapor liquid equilibrium, infinite dilution activity coefficient, binary aqueous system

朱霄, 姚加, 李浩然, 韩世钧. 利用二元体系的C H红外光谱推算汽液平衡数据[J]. , DOI: .

ZHU ,Xiao, YAO ,Jia, LI ,Haoran, HAN ,Shijun. Prediction of vapor-liquid equilibrium data from C H band shift of IR spectra in some binary systems[J]. , DOI: .

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利用二元体系的C H红外光谱推算汽液平衡数据

Prediction of vapor-liquid equilibrium data from C H band shift of IR spectra in some binary systems

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