positive reference group

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.

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。

Eighteen new pares of group interaction parameters were estimated with Nelder-Mead method.

根据Nelder-Meand法,采用FORTRAN编程,估算出了18对新的基团交互作用参数,扩大了该模型的应用范围。