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识别无法维持扩散非平衡态的非理想反应扩散系统

Identifying Non-Ideal Reaction-Diffusion Systems Unable to Maintain Diffusion Out-of-Equilibrium

Francesco Avanzini, Timur Aslyamov, Massimiliano Esposito

arXiv 2607.06030首次发表:更新:

AI 中文总结

研究非理想反应扩散系统中扩散何时平衡,基于构建动力学势开发通用方法,推广相关成果,表明在化学反应网络为伪详细平衡或复杂平衡的系统中扩散会平衡,揭示反应通量约束源于两类网络不同化学计量性质。

AI 中文摘要

我们基于构建作为李雅普诺夫函数的动力学势开发了一种通用方法,以确定在自主均匀化学恒温器的任意驱动下,非理想反应扩散系统中扩散何时必然达到平衡。利用此方法,我们通过放宽一些基本假设推广了《化学物理杂志》161, 174108 (2024) 的结果。具体而言,我们表明在化学反应网络为伪详细平衡(反应通量由反应物和产物的化学计量控制)或复杂平衡(反应通量仅由反应物的化学计量控制)的反应扩散系统中扩散达到平衡。对反应通量的不同约束源于这两类网络不同的化学计量性质。

英文摘要

We develop a general method, based on the construction of a kinetic potential serving as a Lyapunov function, to establish when diffusion necessarily equilibrates in non-ideal reaction-diffusion systems under arbitrary driving by autonomous homogeneous chemostats. This equilibration of diffusion implies vanishing diffusion currents and homogeneous chemical potentials, while reactions can remain far from equilibrium. Using this method, we generalize the results of J. Chem. Phys. 161, 174108 (2024) by relaxing some of the underlying assumptions. Specifically, we show that diffusion equilibrates in reaction-diffusion systems whose chemical reaction network is either pseudo-detailed balanced, with reaction fluxes controlled by the stoichiometry of reactants and products, or complex balanced, with reaction fluxes controlled only by the stoichiometry of the reactants. These different constraints on the reaction fluxes are shown to originate from the distinct stoichiometric properties of the two classes of networks.

Journal refJ. Chem. Phys. 165, 104102 (2026)

DOI:10.1063/5.0351490

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