蒸汽液体平衡(VLE ) 的预言是极其必要的在化学生产分开液体混合,特别当要求的试验数据是困难的测量时,否则测量不是节俭的。无限冲淡活动能被用来预言 VLE。然而,它两个都需要是困难的为许多系统获得的活动的结束。在现在的学习,一个新模型为相关被建议 6 号元素碳的化学符号的频率移动—在整个集中上拉长红外系列的乐队的 H。调查混合物包括 water/2-propanol, water/N, N-dimethylformamide (DMF ) ,水 / 甲醇,水 / 乙醇, water/1,4-dioxane,和 water/dimethylsulfoxide (DMSO ) 系统。6 号元素碳的化学符号的同时的关联—H 频率移动和 VLE 数据被做。而且, VLE 数据被从结合的红外系列获得的参数与令人满意的结果预言无限稀释活度系数之一。
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.