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Non-Equilibrium Thermodynamics and Stochastic Dynamics of a Bistable Catalytic Surface Reaction

Pineda Rodriguez, MA; Stamatakis, M; (2018) Non-Equilibrium Thermodynamics and Stochastic Dynamics of a Bistable Catalytic Surface Reaction. Entropy , 20 (11) p. 811. 10.3390/e20110811. Green open access

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Abstract

Catalytic surface reaction networks exhibit nonlinear dissipative phenomena, such as bistability. Macroscopic rate law descriptions predict that the reaction system resides on one of the two steady-state branches of the bistable region for an indefinite period of time. However, the smaller the catalytic surface, the greater the influence of coverage fluctuations, given that their amplitude normally scales as the square root of the system size. Thus, one can observe fluctuation-induced transitions between the steady-states. In this work, a model for the bistable catalytic CO oxidation on small surfaces is studied. After a brief introduction of the average stochastic modelling framework and its corresponding deterministic limit, we discuss the non-equilibrium conditions necessary for bistability. The entropy production rate, an important thermodynamic quantity measuring dissipation in a system, is compared across the two approaches. We conclude that, in our catalytic model, the most favorable non-equilibrium steady state is not necessary the state with the maximum or minimum entropy production rate.

Type: Article
Title: Non-Equilibrium Thermodynamics and Stochastic Dynamics of a Bistable Catalytic Surface Reaction
Open access status: An open access version is available from UCL Discovery
DOI: 10.3390/e20110811
Publisher version: http://dx.doi.org/10.3390/e20110811
Language: English
Additional information: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
Keywords: fluctuations, chemical master equation, bistability, entropy production rate, non-equilibrium steady state
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering
URI: https://discovery.ucl.ac.uk/id/eprint/10060046
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