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UNIFAC及其改进模型的评价研究

Study on evaluation of UNIFAC and its modified models

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【作者】 李忠杰李秀丽王浩项曙光

【Author】 Li Zhongjie,Li Xiuli,Wang Hao and Xiang Shuguang (The Hi-Tech Institute for Petroleum Refining and Chemical Industry,Qingdao University of Science and Technology,Qingdao, 266042,Shandong,China)

【机构】 青岛科技大学炼油化工高新技术研究所

【摘要】 用UNIFAC及其修正模型估算了含芳香烃、二甲苯同分异构体和极性物质体系的汽液平衡,并将计算结果与实验数据相比较。结果表明,原始UNIFAC模型对含二甲苯同分异构体体系计算精度高于UNIFAC(Larsen)模型和UNIFAC(Dortmund)模型好,而对于极性或弱极性体系,则后2种模型结果较令人满意,但对于强极性体系偏差较大。

【Abstract】 Estimate vapor-liquid equilibrium using UNIFAC and its models for systems containing aromatic hydrocarbon,xylene isomers and polar compound.Compare with experiment values,the results shows that:the calculation values of systems containing xylene isomers using original UNIFAC model is better than UNIFAC(Larsen) model and UNIFAC(Dortmund) model,which meet the estimation request;the later two models is better than original UNIFAC model for polar systems,but the deviation is large for strong polar systems.

  • 【文献出处】 计算机与应用化学 ,Computers and Applied Chemistry , 编辑部邮箱 ,2009年09期
  • 【分类号】O642.42
  • 【被引频次】5
  • 【下载频次】324
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