【摘要】 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．更多还原

【Abstract】 Target-Testing Factor Analysis(TTFA), combined with Numeric Genetic Algorithm(NGA),is adopted to solve the kinetic-spectral data matrix obtained on-line during chemical reactions. The methodis advantageous owing to that it can provide information on rate constants and the reaction orders of chemi-cal reactions as well as the spectrum of species in the reaction, without previous knowledge of the kineticmodel of the reaction and the pure spectrum of species. Furthermore, an approximate algorithm is pro-posed to compute the kinetic spectrum of each species, thus making the method effective as well for reac-tions with fractional orders. This method is employed to solve the synthetic data for systems that are incompliance with the two-step consecutive reaction model and where the species all absorb or one of themdoesn’t, and its effectiveness proved. The method is also applied to the analysis of practical reaction sys-tems such as alkaline hydrolysis of dimethyl phthalate and electrodegradation of sunset yellow aqueous solu-tion, and satisfactory results are obtained.更多还原