Abstract According to Horiuti rule, the higher-dimensional catalytic complex chemical problems are split down in different possible reaction routes. This will remove the stiffness of the system and allows us to analyze the distinct behavior of the catalytic and non-catalytic species during the reaction as well as the whole reaction mechanism. The construction and comparison of the multi-invariant region and 1D and 2D curves (manifold) require detailed analysis of the system and have never been reported so far. The purpose of writing this article is, to find and compare the transition period of the chemical species and solution trajectories of the multi-phase reaction mechanism through the model reduction technique (MRT), i.e., Spectral Quasi Equilibrium Manifold (SQEM) for multi-route reaction mechanisms. For convenience, a multi-step chemical reaction mechanism over the closed system is considered in detail and the results are obtained through programming in MATLAB.

中文翻译：

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多相催化反应机理中平衡态和溶液行为的数值模拟

摘要 根据 Horiuti 规则，高维催化复杂化学问题被分解为不同的可能反应路线。这将消除系统的刚度，并使我们能够分析反应过程中催化和非催化物种的不同行为以及整个反应机制。多不变区域和一维和二维曲线（流形）的构建和比较需要对系统进行详细分析，迄今为止从未有过报道。写这篇文章的目的是，通过模型还原技术（MRT），即光谱准平衡流形（SQEM）寻找和比较多相反应机理的化学物种和溶液轨迹的过渡期。途径反应机制。为了方便，