TY  - JOUR
A1  - Montefusco, Alberto
A1  - Peletier, Mark A.
A1  - Öttinger, Hans Christian
T1  - A Framework of Nonequilibrium Statistical Mechanics. II. Coarse-Graining
T2  - Journal of Non-Equilibrium Thermodynamics
N2  - 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.
Y1  - 2021
UR  - https://opus4.kobv.de/opus4-zib/frontdoor/index/index/docId/8020
VL  - 46
IS  - 1
SP  - 15
EP  - 33
PB  - De Gruyter
ER  -