| 利用二元体系的C-H红外光谱推算汽液平衡数据 |
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| 引用本文： | 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].中国化学工程学报,2007,15(1). |
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| 作者姓名： | 朱霄 姚加 李浩然 韩世钧 |
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| 摘 要： |
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Prediction of Vapor-Liquid Equilibrium Data from C-H Band Shift of IR Spectra in Some Binary Systems |
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| 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].Chinese Journal of Chemical Engineering,2007,15(1). |
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| Authors: | ZHU Xiao YAO Jia LI Haoran HAN Shijun |
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| Affiliation: | Department of Chemistry, Zhejiang University, Hangzhou 310027, China;Department of Chemistry, Zhejiang University, Hangzhou 310027, China;Department of Chemistry, Zhejiang University, Hangzhou 310027, China;Department of Chemistry, Zhejiang University, Hangzhou 310027, China |
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| 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 thc 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 include water/2-propanol, water/N, N-dimethylformamide (DMF), water/methanol, water/ethanol, water/1, 4-dioxane,and water/dimethylsulfoxidc (DMSO) systems. Simultaneous correlations of C-H frequency shift and VLE data arc 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. |
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| Keywords: | IR vapor liquid equilibrium infinite dilution activity coefficient binary aqueous system |
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