【标题】新的N-甲酰吗啉UNIFAC基团相互作用参数

【作者】赵权宇 郑英峨 等

【机构】南京化工大学化学工程系

【摘要】There are 1imited Vapor—Liquid Equilibrium(VLE)data including N-formylmorpholine(NFM )for the design of the extractive distillation process using NFM as solvent．The new interaction parametersof UNIFAC mode1 were fitted with experimenta1 data between CH2， ACH and NFM which was regardedas a main group．Comparison of the prediction results of VLE data and infinite dilution activity coefficientswith other published methods of group division for NFM ．indicated more satisfying results with theinteraction parameters of this paper．The four methods of group division for NFM were discussed based Onthe group division for ring molecule and group charge distribution．The group charge distribution at theminimum energy state was calculated by the AM 1 method in Chem3D Pro．The od theoretica1 basis Waspresented for the group division of NFM．

【关键词】N－甲酰吗啉 基团相互作用参数 基团贡献法 汽液平衡 邻位效  group contribution method， vapor—liquid equilibria(VLE)， N-formylmorpholine(NFM )，proximity effect，charge distribution

【论文1】新的N-甲酰吗啉UNIFAC基团相互作用参数.pdf
【论文2】N-甲酰吗啉芳烃抽提塔的试验研究.pdf
【论文3】芳烃回收的优良溶剂N-甲酰吗啉.pdf