针式搜索在自催化反应解析中的应用(英文)

Application of needle search in the resolution of the autocatalytic reaction

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。

The two-way kinetic-spectral data measured in the process of an autocatalytic reaction,which is usually very complex with anunknown kinetic model,can be resolved by Iterative Target Transformation Factor Analysis(ITTFA).Needle search is employed toconstruct the initial estimates of ITTFA,a key step for ITTFA,and determine the chemical rank of the matrix.By using this method,a synthetic data matrix for an autocatalytic reaction with two intermediates has been successfully resolved.And the kinetic-spectral datameasured from the redox between potassium permanganate and hydrogen peroxide in sulfuric acid is also studied.