Model reduction in chemical dynamics: slow invariant manifolds, singular perturbations, thermodynamic estimates, and analysis of reaction graph

TL;DR

This paper reviews and introduces advanced methods for reducing complex chemical reaction models, focusing on invariant manifolds, singular perturbations, and thermodynamic estimates to simplify kinetic analysis.

Contribution

It provides a comprehensive overview of existing and recent techniques for model reduction in chemical kinetics, including new developments in invariant manifolds and singular perturbation methods.

Findings

Enhanced methods for invariant manifold computation

New insights into singular perturbation techniques

Advances in reaction mechanism skeletonisation

Abstract

The paper has two goals: It presents basic ideas, notions, and methods for reduction of reaction kinetics models: quasi-steady-state, quasi-equilibrium, slow invariant manifolds, and limiting steps. It describes briefly the current state of the art and some latest achievements in the broad area of model reduction in chemical and biochemical kinetics, including new results in methods of invariant manifolds, computation singular perturbation, bottleneck methods, asymptotology, tropical equilibration, and reaction mechanism skeletonisation.