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Segregation disrupts the Arrhenius behavior of an isomerization reaction
Physical Review E ( IF 2.4 ) Pub Date : 2024-03-13 , DOI: 10.1103/physreve.109.034119
Shubham Thwal , Suman Majumder

Coexistence of segregation and interconversion or isomerization reaction among molecular species leads to fascinating structure formation in the biological and chemical worlds. Using Monte Carlo simulations of the prototype Ising model, we explore the chemical kinetics of such a system consisting of a binary mixture of isomers. Our results reveal that even though the two concerned processes are individually Arrhenius in nature, the Arrhenius behavior of the isomerization reaction gets significantly disrupted due to an interplay of the nonconserved dynamics of the reaction and the conserved diffusive dynamics of segregation. The approach used here can be potentially adapted to understand reaction kinetics of more complex reactions.

中文翻译:

分离破坏了异构化反应的阿伦尼乌斯行为

分子种类之间的分离和互变或异构化反应的共存导致生物和化学世界中令人着迷的结构形成。使用原型伊辛模型的蒙特卡罗模拟,我们探索了由异构体二元混合物组成的系统的化学动力学。我们的结果表明,尽管这两个相关过程本质上都是阿伦尼乌斯过程,但由于反应的非保守动力学和分离的保守扩散动力学之间的相互作用,异构化反应的阿伦尼乌斯行为会受到显着破坏。这里使用的方法可能适用于理解更复杂反应的反应动力学。
更新日期:2024-03-13
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