Treanor-DFP法估算乙烷氧化脱氢体系的动力学参数

Treanor DFP method to estimate kinetics parameters for the oxydehydrogenation of ethane

为估算催化反应动力学数据提出了一种稳定性高、适应性强的算法，即ＴｒｅａｎｏｒＤＦＰ法，这种算法不仅能解决大部分以往很难或无法进行的复杂体系的参数估算问题，而且还能大幅度提高计算速度。用它对乙烷氧化脱氢制乙烯体系的动力学参数进行了估算，并用计算值做拟合曲线能与实验曲线吻合得很好。

A stable and flexible calculation method, Treanor DFP method, to estimate kinetics data of catalytic reaction has been proposed. This method can not only deal with a lot of complicated things about estimating data which used to be difficult to resolve, but also raise calculationspeed greatly. The kinetics parameters of the oxydehydrogenation of ethane have been estimated. The simulation of the calculated values can coincide with the experimental ones.