论文标题
非理想化学反应网络的非平衡热力学
Nonequilibrium Thermodynamics of Non-Ideal Chemical Reaction Networks
论文作者
论文摘要
开放化学反应网络的非平衡热力学的所有当前配方都取决于非相互作用物种的假设。我们开发了一种通用理论，该理论说明了使用活动系数在平均场方法中化学物种之间的相互作用。热力学一致性要求速率方程不遵守标准的质量动力学，而是说明与浓度依赖性动力学常数的相互作用。理想配方的许多特征都被恢复。至关重要的是，发现了热力学潜力和驱动非理想化学系统以平衡的力。我们的理论是一般的，并且具有导致下限自由能的相互作用的任何平均场表达。
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.
