用数值遗传算法计算配合物的稳定常数

Determination of Stabiliyt Constants of Complex by Using Numeric Genetic Algorithm

提出了一种新的全局优化方法──数值遗传算法。该法可以处理连续变量参数的优化问题，能在很多局部较优中找到全局最优点，特别适合处理复杂的非线性问题。该法通过遗传操作不断改变个体和群体，使之逐渐适应环境；除新设计了交配和突变数值遗传操作外，本文还提出了记忆遗传操作，从而加快了运算的速度。采用这种算法，测定了新型化学发光材料的重要中间体──三氯水杨酸的酸常数及其与铜和铁的配合物的稳定常数。

A novel global optimal method-numeric genetic algorithm(NGA) is proposed in this paper.NGA can deal with the optimization of continuous variables. NGA can alsofind global optimal in the presence of many local optimal and is especially suitable to deal with complicated nonlinear problem. Individual and population are varied by genetic operations to gradually adapt the environment. Besides crossover and mutation, a new genetic operation-memory is proposed in this paper to shrten the calculating time. The stability constants of trichlorosalicylic acid and its complexes of copper and iron have been calculated by using NGA.