- Journal Article
Rights / licenseCreative Commons Attribution 4.0 International
For a given thermodynamic system, and a given choice of coarse-grained state variables, the knowledge of a force-flux constitutive law is the basis for any nonequilibrium modeling. In the first paper of this series we established how, by a generalization of the classical fluctuation-dissipation theorem (FDT), the structure of a constitutive law is directly related to the distribution of the fluctuations of the state variables. When these fluctuations can be expressed in terms of diffusion processes, one may use Green-Kubo-type coarse-graining schemes to find the constitutive laws. In this paper we propose a coarse-graining method that is valid when the fluctuations are described by means of general Markov processes, which include diffusions as a special case. We prove the success of the method by numerically computing the constitutive law for a simple chemical reaction A B. Furthermore, we show that, for such a system, one cannot find a consistent constitutive law by any Green-Kubo-like scheme. © 2021 Montefusco et al., published by De Gruyter 2021. Show more
Journal / seriesJournal of Non-Equilibrium Thermodynamics
Pages / Article No.
Subjectfuctuations; dissipation; Markov processes; gradient fows; chemical kinetics
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