| UNIFAC-PR模型应用范围的进一步拓展 |
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| 引用本文： | 傅杨武,傅川,陈明君,薛荣书.UNIFAC-PR模型应用范围的进一步拓展[J].四川大学学报(自然科学版),2005,42(4):803-806. |
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| 作者姓名： | 傅杨武 傅川 陈明君 薛荣书 |
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| 作者单位： | 1. 重庆三峡学院化学工程系,重庆,404000
2. 重庆大学化学化工学院,重庆,400044 |
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| 摘 要： | 利用Nelder-Meand扩展单形求极值法估算出了预测型的UNIFAC-PR模型的18对新的基团交互作用参数，进一步扩大了UNIFAC-PR模型的应用范围．并根据新估算出的基团交互作用参数对35个二元汽液相平衡体系盼泡点压力和汽相组成进行了预测，预测值和实验值吻合良好．
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| 关 键 词： | 基团交互作用参数 汽液平衡 估算 |
| 文章编号： | 0490-6756（2005）04-0803-04 |
| 收稿时间： | 2005-01-05 |
| 修稿时间： | 2005-01-05 |
Extension Application Rang of UNIFAC-PR Group Contribution Equation of State |
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| FU Yang-wu,FU Chuan,CHEN Ming-jun,XUE Rong-shu.Extension Application Rang of UNIFAC-PR Group Contribution Equation of State[J].Journal of Sichuan University (Natural Science Edition),2005,42(4):803-806. |
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| Authors: | FU Yang-wu FU Chuan CHEN Ming-jun XUE Rong-shu |
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| Abstract: | The application range of the predictive UNIFAC-PR model for the prediction of vapor-liquid equilibrium was extended by the estimation of 18 pares of group interaction parameters with Nelder-Mead method.Predictions for the bubble-pressure and vapor composition of vapor-liquid phase equilibrium are performed by means of UNIFAC-PR model. This calculation includes 35 binary systems, and the satisfactory accuracy is obtained. |
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| Keywords: | group interaction parameters yapor-liquid equilibrium estimation |
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