Connecting dynamical coherent structures to thermodynamics in nonequilibrium reaction networks

Dynamical systems theory has long been used to characterize the nonlinear behavior of chemical reaction networks in terms of e.g., multistability, limit cycles, and chaos. Recently, nonequilibrium thermodynamics has been generalized to provide a statistical description of such complex dynamics. Connecting these two frameworks will inform quantification, design, and control of network dynamics with thermodynamic constraints. To achieve this, we first characterize the coherent structures of canonical chemical oscillators in concentration space using Lagrangian flow analysis of reaction trajectories. We then evaluate the co-evolution of thermodynamic coherent structures such as entropy production. We consider a range of dynamical regimes by applying nonequilibrium forcing via chemostats.