Stochastic approach to entropy production in chemical chaos

DOI10.1063/5.0025350zbMATH Open1455.80009arXiv2008.06437OpenAlexW3097946189WikidataQ103824656 ScholiaQ103824656MaRDI QIDQ5140874FDOQ5140874

Authors: P. Gaspard 

Publication date: 17 December 2020

Published in: Chaos: An Interdisciplinary Journal of Nonlinear Science (Search for Journal in Brave)

Abstract: Methods are presented to evaluate the entropy production rate in stochastic reactive systems. These methods are shown to be consistent with known results from nonequilibrium chemical thermodynamics. Moreover, it is proved that the time average of the entropy production rate can be decomposed into the contributions of the cycles obtained from the stoichiometric matrix in both stochastic processes and deterministic systems. These methods are applied to a complex reaction network constructed on the basis of Roessler's reinjection principle and featuring chemical chaos.

Full work available at URL: https://arxiv.org/abs/2008.06437

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zbMATH Keywords

numerical simulationschemical reaction networkentropy productionchemical chaosmacroscopic kinetic equations

Mathematics Subject Classification ID

Stochastic ordinary differential equations (aspects of stochastic analysis) (60H10) Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Chemically reacting flows (80A32)

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Cited In (8)

• Slow-fast oscillatory dynamics and phantom attractors in stochastic modeling of biochemical reactions
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• STOCHASTIC SIMULATION OF CHEMICAL CHUA SYSTEM
• Chaos: From theory to applications for the 80th birthday of Otto E. Rössler
• Entropy production as a universal functional of reaction rate: chemical networks close to steady states
• What can we learn from thermodynamics on stochastic dynamics?
• On the deduction of chemical reaction pathways from measurements of time series of concentrations
• Entropy Production Rate as a Lyapunov Function in Chemical Systems: Proof

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