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UNIFAC基团贡献法预测含N-甲酰吗啉体系的汽液平衡

         

摘要

Based on the UNIFAC model,NFM(C5H9NO2)was divided into two groups C4H8NO and CHO.The interaction parameters am/n between CH2,ACH,ACCH2,CHO,H2O and C4H9NO were fitted by use of the published VLE data,the void of these parameters were recruited.The VLE data of the binary,ternary and quar-ternary systems including morpholine and NFM,and the infinite dilution activity coefficients of several hydrocar-bons in NFM or aqueous NFM were predicted by use of these parameters successfully.The results show that the division of the NFM into two groups is reasonable and the fitted parameters satisfactory for designing the aromatic recovery process with NFM as solvent.%应用UNIFAC基团贡献法,将N-甲酰吗啉划分为C4H8NO和CHO两个基团,用文献值拟合了CH2、ACH、ACCH2、CHO及H2O与C4H9NO的基团相互作用参数am/n。用拟合的参数预测了含吗啉和N-甲酰吗啉体系的二元、三元和四元体系的汽液平衡数据和烃类在不同含水量的N-甲酰吗啉溶剂中的无限稀释活度系数。结果表明,对N-甲酰吗啉基团的划分是合理的,拟合的基团相互作用参数能够满足N-甲酰吗啉溶剂用于芳烃回收装置设计的需要。

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