What is a chemostat? Insights from hybrid dynamics and stochastic thermodynamics.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Benedikt Remlein, Massimiliano Esposito, Francesco Avanzini
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引用次数: 0

Abstract

At the microscopic scale, open chemical reaction networks are described by stochastic reactions that follow mass-action kinetics and are coupled to chemostats. We show that closed chemical reaction networks-with specific stoichiometries imposed by mass-action kinetics-behave like open ones in the limit where the abundances of a subset of species become macroscopic, thus playing the role of chemostats. We prove that this limit is thermodynamically consistent by recovering the local detailed balance condition of open chemical reaction networks and deriving the proper expression of the entropy production rate. In particular, the entropy production rate features two contributions: one for the dissipation of the stochastic reactions and the other accounting for the dissipation of continuous reactions controlling the chemostats. Finally, we illustrate our results for two prototypical examples.

什么是化学调节剂?从混合动力学和随机热力学的见解。
在微观尺度上,开放的化学反应网络被描述为遵循质量作用动力学的随机反应,并与化学调节剂耦合。我们表明,封闭的化学反应网络——由质量作用动力学施加的特定化学计量——在某种程度上表现得像开放的化学反应网络,在这种情况下,某一物种子集的丰度变得宏观,从而发挥了化学调节剂的作用。通过恢复开放化学反应网络的局部详细平衡条件,推导出熵产率的适当表达式,证明了该极限是热力学一致的。特别地,熵产率有两个贡献:一个是随机反应的耗散,另一个是控制化学常数的连续反应的耗散。最后,我们用两个原型例子说明了我们的结果。
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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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