Overview Statistic: PDF-Downloads (blue) and Frontdoor-Views (gray)

A Framework of Nonequilibrium Statistical Mechanics. II. Coarse-Graining

  • 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.
Author:Alberto MontefuscoORCiD, Mark A. PeletierORCiD, Hans Christian ÖttingerORCiD
Document Type:Article
Parent Title (English):Journal of Non-Equilibrium Thermodynamics
First Page:15
Last Page:33
Publisher:De Gruyter
Year of first publication:2021
Accept ✔
Diese Webseite verwendet technisch erforderliche Session-Cookies. Durch die weitere Nutzung der Webseite stimmen Sie diesem zu. Unsere Datenschutzerklärung finden Sie hier.