介绍了一种基于动力系统理论的详细化学反应机理的简化方法——固有低维流形ILDM(intrinsic low dimensional manifolds),描述了该方法的控制方程,并给出了一维流形的一种求解方法:首先利用CHEMKIN软件的Equilibrium模块算出化学反应系统平衡点的温度和摩尔分数得到一维流形上的一个点,然后以该点为初值向邻域扩展得到流形上其他的点.在向邻域扩展的过程中采用切向预测一修正的自适应延拓算法以避免步长过大而导致组分为负.一维流形的计算结果与文献中的计算结果一致,说明该方法是可行的.
Intrinsic low dimensional manifolds( ILDM ), a method to simplify detailed chemical reaction mechanisms based on the theory of dynamical systems, is briefly introduced. The governing equations of this method are given and an efficient algorithm to compute the one-dimensional manifold is presented. Firstly, a good initial point on the manifold is obtained by calculating the temperature and composition at the chemical reaction equilibrium point with CHEMKIN. Then, from this initial point the calculation of this manifold is carried out toward the neighboring points by a prediction-correction adaptive continuation method. A tangent predictor is used in the prediction step. The comparison of the results of the one-dimensional manifold with the numerical ones in literature validates the strategy.