摘要
以数值积分和逐步二次规划法的结合为基础,提出了一种新的对复杂反应动力学模型进行数据拟合和参数优化的方法。此方法克服了以往计算方法中不能直接进行约束条件分析的问题,且收敛快,拟合误差小。采用该方法,对两个反应体系的速率常数进行了估算,计算结果与实验值吻合良好。此方法还可以应用于一般的复杂动态参数拟合。
A new way of data fitting and parameter optimization for complex chemical reaction kinetic model was developed based on the integration of numerical analysis and sequential quadratic programming methods, by which not only the weakness of traditional algorithm failing of direct constraint analysis could be overcome, but also the quicker convergence rate and less fitting error could be obtained. The method was tested by two kinds of reaction system. The kinetic simulation results were in accord with the experimental data. The proposed method also can be applied to the common complex dynamic constraints parameter fitting problems.
出处
《石油学报（石油加工）》
EI
CAS
CSCD
北大核心
2005年第5期101-106,共6页
Acta Petrolei Sinica(Petroleum Processing Section)
关键词
逐步二次规划法
数值积分
反应动力学
参数优化
sequential quadratic programming method
numerical integration
reaction kinetics
parameter optimization
