Thermodynamics of Non-Elementary Chemical Reaction Networks

TL;DR

This paper introduces a thermodynamic framework for non-elementary chemical reaction networks that leverages network topology and kinetics, enabling energy analysis without detailed elementary reaction mechanisms.

Contribution

It provides an exact thermodynamic approach for coarse-grained networks derived from elementary reactions, applicable to complex biosystems.

Findings

Framework applicable to open and closed networks

Does not require mass action kinetics

Useful for energetic analysis in biosystems

Abstract

We develop a thermodynamic framework for closed and open chemical networks applicable to non-elementary reactions that do not need to obey mass action kinetics. It only requires the knowledge of the kinetics and of the standard chemical potentials, and makes use of the topological properties of the network (conservation laws and cycles). Our approach is proven to be exact if the network results from a bigger network of elementary reactions where the fast-evolving species have been coarse grained. Our work should be particularly relevant for energetic considerations in biosystems where the characterization of the elementary dynamics is seldomly achieved.