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自催化反应一般比较复杂,其动力学模型往往未知。在其反应过程中获得的动力学-光谱数据矩阵可用迭代目标转换因子分析法(ITTFA)来解析。针式搜索被用来确定数据矩阵的化学秩及反应过程中所产生的中间体达到最大浓度的时间,并进一步构造ITTFA 中的初始迭代矢量。应用此方法,一组含有两个中间体的自催化反应的模拟数据得到了成功的解析。硫酸介质中高锰酸钾氧化过氧化氢的反应属于自催化反应,在线测得的该反应的动力学-光谱数据用针式搜索-ITTFA方法进行了解析,确定反应过程中存在2个中间体,获得了反应体系中各组分的动力学谱。
Autocatalytic reactions are generally complex and their kinetic models are often unknown. The kinetic-spectral data matrix obtained during its reaction can be resolved using an iterative target conversion factor analysis (ITTFA). Needle search is used to determine the chemical rank of the data matrix and the time it takes for the intermediate produced during the reaction to reach its maximum concentration, and to further construct the initial iteration vector in ITTFA. Using this method, a set of simulation data for an autocatalytic reaction containing two intermediates was successfully resolved. The reaction of potassium permanganate oxidation of hydrogen peroxide in sulfuric acid medium belongs to the autocatalytic reaction. The kinetic-spectroscopic data of the reaction measured on-line was analyzed by needle-tacking-ITTFA method to determine the existence of two intermediates during the reaction. The kinetic spectra of the components in the reaction system were obtained.