UNIFAC-PR模型应用范围的进一步拓展  

Extension Application Rang of UNIFAC-PR Group Contribution Equation of State

作　　者：傅杨武[1] 傅川[1] 陈明君[1] 薛荣书[2] 

机构地区：[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

出　　处：《四川大学学报（自然科学版）》2005年第4期803-806,共4页Journal of Sichuan University(Natural Science Edition)

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的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.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.

关 键 词：基团交互作用参数 汽液平衡 估算 

分 类 号：TQ013.1[化学工程]