Kron-based Model-order Reduction of Open Mass-action Kinetics Chemical Reaction Networks

We propose a Kron-based model-order reduction method for mass-action kinetics chemical reaction networks (CRN) with constant inflow and proportional outflow. The reduced-order models preserve the CRN structure and we establish that the resulting reduced-order models have the same DC-gain or zero-moment as that of the full-order ones. Subsequently, we present the spectrum interlacing property of the Kron-reduced open CRN and propose the use of Gramians-based approach for single-species single-substrate chemical network to get the upper-bound of approximation error and to use it in determining a good set of nodes to be removed systematically. Finally, we evaluate the applicability and efficacy of our results in two well-known biochemical kinetic models: the activated sludge model (ASM) 1 and McKeithan's T-cell receptor model.

Mohamad Agung Prawira Negara, Azka Muji Burohman, Bayu Jayawardhana · 2022