Abstract In solving the kinetic model reduction problem for CSTR studies, a new procedure of decomposing the full mechanism was developed. In this procedure, the full mechanism was decomposed in two sub-mechanisms, Kinetic Informative Detachable (KID) mechanism and Feeding Mechanism (FEM) linked by a special bridging reaction via a single gateway substance which belongs to FEM. Requirements for such decomposition were formulated. This procedure allows to produce relationships which depend only on the kinetic coefficients of the KID mechanism and the gateway substance reaction. In a typical case, say for the mechanism A → k 1 B ⇄ k 2 - k 2 + C , the reciprocal space time value τ at the intersection of the B and C kinetic dependences is characterized by a simple relation 1 τ = k 2 + - k 2 - . In general, this or similar dependences can be used for extracting the kinetic coefficients. Mathematically, the procedure is grounded on a generalized eigenvalue problem. Decomposition of a given mechanism into sub-mechanisms can be done in multiple ways with different corresponding gateways, and, consequently, different kinetic coefficients can be extracted. Theoretical concepts are illustrated by many examples of mechanisms.

中文翻译：

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复杂反应机制的网关分析：动力学信息可拆卸 (KID) 子机制

摘要 为了解决CSTR研究的动力学模型简化问题，开发了一种分解完整机制的新程序。在这个过程中，完整的机制被分解为两个子机制，动力学信息可分离（KID）机制和喂养机制（FEM），通过一个属于 FEM 的单一网关物质通过特殊的桥接反应连接起来。制定了这种分解的要求。该过程允许产生仅取决于 KID 机制和网关物质反应的动力学系数的关系。在一个典型的情况下，比如说对于机制 A → k 1 B ⇄ k 2 - k 2 + C ，B 和 C 动力学相关性的交点处的倒数时空值 τ 用简单的关系来表征 1 τ = k 2 + - k 2 - 。一般来说，这种或类似的相关性可用于提取动力学系数。在数学上，该过程基于广义特征值问题。可以使用不同的相应网关以多种方式将给定机制分解为子机制，因此可以提取不同的动力学系数。许多机制示例说明了理论概念。