Coarse-graining via EDP-convergence for linear fast-slow reaction systems
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Publication:3386876
coarse grainingenergy-dissipation balanceEDP-convergencereconstruction operatorsentropic gradient structureMarkov process with detailed balance
Applications of Markov chains and discrete-time Markov processes on general state spaces (social mobility, learning theory, industrial processes, etc.) (60J20) Markov semigroups and applications to diffusion processes (47D07) Variational methods involving nonlinear operators (47J30) Classical flows, reactions, etc. in chemistry (92E20)
Abstract: We consider linear reaction systems with slow and fast reactions, which can be interpreted as master equations or Kolmogorov forward equations for Markov processes on a finite state space. We investigate their limit behavior if the fast reaction rates tend to infinity, which leads to a coarse-grained model where the fast reactions create microscopically equilibrated clusters, while the exchange mass between the clusters occurs on the slow time scale. Assuming detailed balance the reaction system can be written as a gradient flow with respect to the relative entropy. Focusing on the physically relevant cosh-type gradient structure we show how an effective limit gradient structure can be rigorously derived and that the coarse-grained equation again has a cosh-type gradient structure. We obtain the strongest version of convergence in the sense of the Energy-Dissipation Principle (EDP), namely EDP-convergence with tilting.
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(19)- Modeling of chemical reaction systems with detailed balance using gradient structures
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