Real-time temperature measurement in stochastic rotation dynamics,Physical Review E

当前位置： X-MOL 学术 › Phys. Rev. E › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Real-time temperature measurement in stochastic rotation dynamics
Physical Review E ( IF 2.2 ) Pub Date : 2021-09-20 , DOI: 10.1103/physreve.104.034124
Rong Fan ₁ , Githin T Zachariah ₁ , Johan T Padding ₁ , Remco Hartkamp ₁

Affiliation

Many physical and chemical processes involve energy change with rates that depend sensitively on local temperature. Important examples include heterogeneously catalyzed reactions and activated desorption. Because of the multiscale nature of such systems, it is desirable to connect the macroscopic world of continuous hydrodynamic and temperature fields to mesoscopic particle-based simulations with discrete particle events. In this work we show how to achieve real-time measurement of the local temperature in stochastic rotation dynamics (SRD), a mesoscale method particularly well suited for problems involving hydrodynamic flows with thermal fluctuations. We employ ensemble averaging to achieve local temperature measurement in dynamically changing environments. After validation by heat diffusion between two isothermal plates, heating of walls by a hot strip, and by temperature programed desorption, we apply the method to a case of a model flow reactor with temperature-sensitive heterogeneously catalyzed reactions on solid spherical catalysts. In this model, adsorption, chemical reactions, and desorption are explicitly tracked on the catalyst surface. This work opens the door for future projects where SRD is used to couple hydrodynamic flows and thermal fluctuations to solids with complex temperature-dependent surface mechanisms.

中文翻译：

随机旋转动力学中的实时温度测量

许多物理和化学过程涉及能量变化，其速率敏感地取决于局部温度。重要的例子包括非均相催化反应和活化解吸。由于此类系统的多尺度性质，需要将连续流体动力学和温度场的宏观世界与具有离散粒子事件的基于细观粒子的模拟连接起来。在这项工作中，我们展示了如何在随机旋转动力学 (SRD) 中实现局部温度的实时测量，这是一种中尺度方法，特别适合涉及具有热波动的流体动力学流动的问题。我们采用整体平均来在动态变化的环境中实现局部温度测量。通过两块等温板之间的热扩散验证后，通过热钢带加热壁，并通过程序升温解吸，我们将该方法应用于在固体球形催化剂上具有温度敏感非均相催化反应的模型流动反应器的情况。在该模型中，吸附、化学反应和解吸在催化剂表面上被明确跟踪。这项工作为未来的项目打开了大门，在这些项目中，SRD 用于将流体动力学流动和热波动耦合到具有复杂的温度相关表面机制的固体。

更新日期：2021-09-21

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11