非平衡稳定状态下扩散控制反应的理论。

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Seokjin Moon, David T Limmer
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引用次数: 0

摘要

我们研究非平衡稳定状态下的扩散控制过程,在这种状态下,标准速率理论假设失效。利用过渡路径理论,我们推广了反应概率通量与反应速率测度之间的关系。随机热力学分析揭示了功如何限制相对于它们的平衡值的速率的增强。一个强电场下解析可解的离子对模型说明并验证了我们的方法和理论。这些发现为扩散控制的反应动力学提供了更深入的见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A theory for diffusion-controlled reactions within nonequilibrium steady states.

We study diffusion-controlled processes in nonequilibrium steady states, where standard rate theory assumptions break down. Using transition path theory, we generalize the relations between reactive probability fluxes and measures of the rate of the reaction. Stochastic thermodynamics analysis reveals how work constrains the enhancement of rates relative to their equilibrium values. An analytically solvable ion pairing model under a strong electric field illustrates and validates our approach and theory. These findings provide deeper insights into diffusion-controlled reaction dynamics beyond equilibrium.

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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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