Field Theory of Reaction-Diffusion: Mass Action with an Energetic Variational Approach

28 Jan 2020  ·  Yiwei Wang, Chun Liu, Pei Liu, Bob Eisenberg ·

We extend the energetic variational approach so it can be applied to a chemical reaction system with general mass action kinetics. Our approach starts with an energy-dissipation law... We show that the chemical equilibrium is determined by the choice of the free energy and the dynamics of the chemical reaction is determined by the choice of the dissipation. This approach enables us to couple chemical reactions with other effects, such as diffusion and drift in an electric field. As an illustration, we apply our approach to a non-equilibrium reaction-diffusion system in a specific but canonical set-up. We show by numerical simulation that the input-output relation of such a system depends on the choice of the dissipation. read more

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Chemical Physics