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利用目标试验因子分析(ＴＴＦＡ)结合数值遗传算法(ＮＧＡ)．解析反应过程中在线测得的动力学谱－光谱数据矩阵,可在未知各组分纯光谱及动力学模型情况下同时求解出各组分的纯光谱、反应级数及速率常数．提出用近似计算法计算各组分的动力学谱,使该方法能适用于任意反应级数的体系．针对两步连续反应模型,对反应物、中间体和最终产物均有吸收及某一种组分没有吸收的体系的模拟实验数据矩阵进行了处理,表明该方法均能适用．利用该方法对邻苯二甲酸二甲酯在碱性介质中的水解反应及日落黄水溶液的电解降解反应过程中测得的数据矩阵进行解析,均获得了可靠结果．
Targeted trial factor analysis (TTFA) combined with numerical genetic algorithm (NGA). The kinetic spectrum-spectral data matrix measured on-line during the reaction process can be used to solve simultaneously the pure spectra, reaction orders and rate constants of each component under the pure spectra and kinetic models of unknown components. The approximate calculation method is proposed to calculate the kinetic spectra of each component so that the method can be applied to any reaction order system. According to the two-step continuous reaction model, the simulated experimental data matrix of the system which has the absorption of the reactants, the intermediates and the final products and the non-absorption of one of the components is treated, and the method is applicable. The method was used to analyze the data matrix measured during the hydrolysis of dimethyl phthalate in alkaline medium and the electrolytic degradation reaction of sunset yellow aqueous solution, all obtained reliable results.