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.
出处
《四川大学学报(自然科学版)》
CAS
CSCD
北大核心
2005年第4期803-806,共4页
Journal of Sichuan University(Natural Science Edition)
关键词
基团交互作用参数
汽液平衡
估算
group interaction parameters
yapor-liquid equilibrium
estimation