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arXiv · 2012.10375

Nonequilibrium Thermodynamics of Non-Ideal Chemical Reaction Networks

Francesco Avanzini·Emanuele Penocchio·Gianmaria Falasco·Massimiliano Esposito
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Abstract

All current formulations of nonequilibrium thermodynamics of open chemical reaction networks rely on the assumption of non-interacting species. We develop a general theory which accounts for interactions between chemical species within a mean-field approach using activity coefficients. Thermodynamic consistency requires that rate equations do not obey to standard mass-action kinetics, but account for the interactions with concentration dependent kinetic constants. Many features of the ideal formulations are recovered. Crucially, the thermodynamic potential and the forces driving non-ideal chemical systems out of equilibrium are identified. Our theory is general and holds for any mean-field expression of the interactions leading to lower bounded free energies.

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Francesco Avanzini, Emanuele Penocchio, Gianmaria Falasco, Massimiliano Esposito. 2021-03-08. Nonequilibrium Thermodynamics of Non-Ideal Chemical Reaction Networks. https://doi.org/10.1063/5.0041225

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