Abstract
Modeling reaction kinetics in a homogeneous medium usually leads to stiff systems of ordinary differential equations the dimension of which can be large. The problem of determination of the minimal number of phase variables needed to describe the characteristic behavior of large scale systems is extensively addressed in current chemical kinetics literature from different point of views. Only for a few of these approaches there exists a mathematical justification. In this paper we describe and justify a procedure allowing to determine directly how many and which state variables are essential in a neighborhood of a given point of the extended phase space. This method exploits the wide range of characteristic time-scales in a chemical system and its mathematical justification is based on the theory of invariant manifolds. The procedure helps to get chemical insight into the intrinsic dynamics of a complex chemical process.
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Handrock-Meyer, S., Kalachev, L. & Schneider, K. A Method to Determine the Dimension of Long-Time Dynamics in Multi-Scale Systems. Journal of Mathematical Chemistry 30, 133–160 (2001). https://doi.org/10.1023/A:1017960802671
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DOI: https://doi.org/10.1023/A:1017960802671