English

Nonequilibrium Thermodynamics of Non-Ideal Chemical Reaction Networks

Statistical Mechanics 2021-03-09 v2 Chemical Physics

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.

Keywords

Cite

@article{arxiv.2012.10375,
  title  = {Nonequilibrium Thermodynamics of Non-Ideal Chemical Reaction Networks},
  author = {Francesco Avanzini and Emanuele Penocchio and Gianmaria Falasco and Massimiliano Esposito},
  journal= {arXiv preprint arXiv:2012.10375},
  year   = {2021}
}