一种基于三次样条函数求离子浓度的自动算法

AN AUTOMATIC ALGORITHM FOR DETERMINATION OF IONIC CONCENTRATIONS BASED ON THE CUBIC SPLINE FUNCTION

本文提出了一种用三次样条函数模拟双次标准加入法测量方程，直接求解离子浓度的自动算法。比较了三种不同边界条件下用模拟函数计算离子浓度的结果。造出节点区间两极端点的二阶导数为零时的三次样条函数为最佳模拟函数。并讨论了该方法在实际分析中误差的来源及消除办法。经对一系列文献数据的验算对比，表明本法完全可代替传统的迭代法和查图法，且能方便地设置在智能化的电位分析系统中。

An automatic algorithm for directly Determining the ionic concentrations by simulating the measurement equations of the double standard addition using the cubic spline function, has been presented. Three different boundary conditions for constructing the simulation functions were compared.The best simulation function is under the boundary. condition of f'(x1) = f'(xn) = 0. In addition, the advantages and disadvantages of the present algorithm have been discussed, and the measurements that needed taking to avoid various errors were also discussed. The comparison of the results obtained by the present algorithm with those by other computation methods shows that the present algorithm is capable of replacing the traditional iterative computation and the nomograph method. The present automatic algorithm can be easily integrated into the intelligent potentiometric analyzers.