利用原子系数矩阵法确定复杂反应体系独立反应的方法探讨与改进

The Improvement on Method of Determining the Independent Reactions for Complex Reacting System via Atomic Coefficient Matrix Method

为了简化对复杂反应体系的表征,原子系数矩阵法被用于确定化学反应方程式未知的复杂反应体系的独立反应数及独立反应,但由于原有原子系数矩阵法在选择非关键组分原则方面的缺陷,导致其在应用过程中可能出现无解现象。基于对原子系数矩阵的分析,提出对原子系数矩阵进行初等行变换,然后选取变换后原子系数矩阵最大线性无关向量组;当原子系数矩阵的秩为R时,通过对调列向量的方法,将最大线性无关向量组置于原子系数矩阵的前R列,而该最大线性无关向量组对应的组分可被选作该复杂反应体系的非关键组分。对非关键组分选取原则的上述改进,可使利用原子系数矩阵法确定复杂反应体系独立反应的方法更为严谨,避免原有方法在应用过程中出现的无解现象。实例分析结果表明,对利用原子系数矩阵法确定复杂反应体系独立反应的方法改进是行之有效的。

In order to simplify the characterization of complex reacting system, it is necessary to determine the number of independent reactions and one set of independent reactions. For the case in which reaction equations were unknown, the atomic coefficient matrix method could be used to determine the independent reactions and their number of complex reacting system. However, the original method might be no solution in application since the definition principle for no, key component was imprecise. Based on the analysis of the atomic coefficient matrix, the improvement on the original atomic coefficient matrix method was put forward by this paper, i.e., via elementary line transformation for the atomic coefficient matrix, one set of the maximal linear non-relevant columns were determined. When the rank of atomic coefficient matrix was h＇, the set of maximal linear non-relevant columns were located on the front R columns by exchange the column vector. Finally, the components corresponding to maximal linear nomrelevant columns were chosen as nomkey components of specified complex reacting system. The results of case study demonstrated that by such improvements on the selection of non-key components, the no solution phenomenon of atomic coefficient matrix method could be avoided.