One-way catalysis: Insights from a solvable lattice model

Sara Mahdavi, Yann Sakref, Olivier Rivoire
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引用次数: 0

Abstract

Catalysts speed up chemical reactions with no energy input and without being transformed in the process, therefore leaving equilibrium constants unchanged. Some catalysts, however, are much more efficient at accelerating one direction of a reaction. How is such an asymmetry consistent with chemical equilibrium, where as many forward and reverse reactions must occur? We use the rigorous framework of a simple but exactly solvable lattice model to study this question in the context of a strictly one-way catalyst, which can only accelerate one way of a reaction. The model illustrates a mathematical relationship between asymmetric transition rates, which underlie directional catalysis, and symmetric transition fluxes, which underlie chemical equilibrium. The degree of directionality generally depends on the catalytic mechanism and we compare different mechanisms to show how they can obey different scaling laws. The results showcase the ability of simple physical models to address fundamental questions in catalysis.
单向催化:可解晶格模型的启示
催化剂可以加速化学反应,但不需要输入能量,也不会在反应过程中发生转化,因此不会改变平衡常数。然而,有些催化剂在加速反应的一个方向上更为有效。这种不对称性如何与化学平衡相一致?我们利用一个简单但可精确求解的晶格模型的严格框架,以严格的单向催化剂(只能加速反应的一个方向)为背景来研究这个问题。该模型说明了作为定向催化基础的不对称转化率与作为化学平衡基础的不对称转化通量之间的数学关系。方向性的程度通常取决于催化机理,我们对不同的机理进行了比较,以说明它们如何遵守不同的缩放定律。这些结果展示了简单物理模型解决催化基本问题的能力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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