论文标题

确定化学反应网络的信息热力学

Information Thermodynamics for Deterministic Chemical Reaction Networks

论文作者

Penocchio, Emanuele, Avanzini, Francesco, Esposito, Massimiliano

论文摘要

信息热力学将两个相互作用子系统之间的相互信息变化速率与它们的热力学之间的变化率相关联时,通过双方随机动力学来描述满足局部详细平衡的两部分随机动力学。在这里,我们将信息热力学的范围扩展到确定性的两部分化学反应网络,即由两个耦合的子网共享物种组成,但不是反应。我们通过在不同的分子特征之间引入有意义的相互信息的概念来做到这一点,这是我们在确定性浓度方面表达的。这使我们能够为每个子网制定单独的第二定律,这些子网完全类似于随机系统。然后,我们使用我们的框架来研究化学驱动的自组装模型和实验轻驱动双分子运动的工作机制。我们表明,这两个系统均由化学反应的两个耦合子网组成。一个子网通过外部储层(化学仪或光源)从平衡中保持不足,另一个子网通过能量和信息流动。在此过程中,我们阐明信息流仅在不涉及能量流时,信息流量恰恰是信息棘轮机构的热力学对应物。

Information thermodynamics relates the rate of change of mutual information between two interacting subsystems to their thermodynamics when the joined system is described by a bipartite stochastic dynamics satisfying local detailed balance. Here, we expand the scope of information thermodynamics to deterministic bipartite chemical reaction networks, namely, composed of two coupled subnetworks sharing species, but not reactions. We do so by introducing a meaningful notion of mutual information between different molecular features, that we express in terms of deterministic concentrations. This allows us to formulate separate second laws for each subnetwork, which account for their energy and information exchanges, in complete analogy with stochastic systems. We then use our framework to investigate the working mechanisms of a model of chemically-driven self-assembly and an experimental light-driven bimolecular motor. We show that both systems are constituted by two coupled subnetworks of chemical reactions. One subnetwork is maintained out of equilibrium by external reservoirs (chemostats or light sources) and powers the other via energy and information flows. In doing so, we clarify that the information flow is precisely the thermodynamic counterpart of an information ratchet mechanism only when no energy flow is involved.

扫码加入交流群

加入微信交流群

微信交流群二维码

扫码加入学术交流群,获取更多资源