Finite transition times for multispecies diffusion in heterogeneous media coupled via first-order reaction networks.,Physical Review E

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Finite transition times for multispecies diffusion in heterogeneous media coupled via first-order reaction networks.
Physical Review E ( IF 2.2 ) Pub Date : 2020-07-02 , DOI: 10.1103/physreve.102.012107
Elliot J Carr ₁ , Jonah J Klowss ₁

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Calculating how long a coupled multispecies reactive-diffusive transport process in a heterogeneous medium takes to effectively reach steady state is important in many applications. In this paper, we show how the time required for such processes to transition to within a small specified tolerance of steady state can be calculated accurately without having to solve the governing time-dependent model equations. Our approach is valid for general first-order reaction networks and an arbitrary number of species. Three numerical examples are presented to confirm the analysis and investigate the efficacy of the approach. A key finding is that for sequential reactions our approach works better provided the two smallest reaction rates are well separated.

中文翻译：

通过一阶反应网络耦合的非均质介质中多物种扩散的有限跃迁时间。

在许多应用中，计算异质介质中耦合的多种反应扩散反应过程需要多长时间才能有效地达到稳态。在本文中，我们展示了如何准确地计算出此类过程过渡到较小的指定稳态公差范围内所需的时间，而无需求解与时间相关的主导模型方程。我们的方法适用于一般的一阶反应网络和任意数量的物种。给出了三个数值示例，以证实分析结果并研究该方法的有效性。一个关键的发现是，对于顺序反应，如果两个最小的反应速率被很好地分开，我们的方法会更好地工作。

更新日期：2020-07-02

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