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Non-invasive estimation of dissipation from non-equilibrium fluctuations in chemical reactions.
Muy, S; Kundu, A; Lacoste, D.
Afiliação
  • Muy S; Laboratoire de Physico-Chimie Théorique - UMR CNRS Gulliver 7083, ESPCI, 10 rue Vauquelin, F-75231 Paris, France.
J Chem Phys ; 139(12): 124109, 2013 Sep 28.
Article em En | MEDLINE | ID: mdl-24089752
ABSTRACT
We show how to extract an estimate of the entropy production from a sufficiently long time series of stationary fluctuations of chemical reactions. This method, which is based on recent work on fluctuation theorems, is direct, non-invasive, does not require any knowledge about the underlying dynamics and is applicable even when only partial information is available. We apply it to simple stochastic models of chemical reactions involving a finite number of states, and for this case, we study how the estimate of dissipation is affected by the degree of coarse-graining present in the input data.
Assuntos

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Entropia / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2013 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Entropia / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2013 Tipo de documento: Article