Abstract

Motivated by recent progress on the port-Hamiltonian formulation of isothermal chemical reaction networks and of the continuous stirred tank reactor, the present paper aims to develop a port-Hamiltonian formulation of chemical reaction networks in the non-isothermal case, and to exploit this for equilibrium and stability analysis.

Highlights

  • Modeling of chemical reaction networks has attracted much attention in the last decades due to its wide application in systems biology and chemical engineering

  • Motivated by recent progress on the port-Hamiltonian formulation of isothermal chemical reaction networks and of the continuous stirred tank reactor, the present paper aims to develop a port-Hamiltonian formulation of chemical reaction networks in the non-isothermal case, and to exploit this for equilibrium and stability analysis

  • A port-Hamiltonian formulation has been developed for nonisothermal mass action kinetics chemical reaction networks

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Summary

Introduction

Modeling of chemical reaction networks has attracted much attention in the last decades due to its wide application in systems biology and chemical engineering Previous work, such as [8,14,15], provides the foundation of a structural theory of isothermal chemical reaction networks governed by mass action kinetics. Based on mass and energy balance equations, a port-Hamiltonian formulation for non-isothermal mass action kinetics chemical reaction networks which are detailed-balanced is developed. This formulation directly extends the port-Hamiltonian formulation of isothermal chemical reaction networks of [32,33], in contrast with the quasi port-Hamiltonian formulation in [36].

Notation
The chemical reaction network structure
Mass balance equations
Energy balance equations
Port-Hamiltonian formulation
Entropy balance equation
Thermodynamic equilibria and asymptotic stability
Thermodynamic equilibria
Asymptotic stability
Modeling
Equilibrium and Lyapunov function
Non-isothermal chemical reaction networks with ports
Conclusions and outlook

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