Discovery of mixing characteristics for enhancing coiled reactor performance through a Bayesian optimisation-CFD approach
Discovery of mixing characteristics for enhancing coiled reactor performance through a Bayesian optimisation-CFD approach
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DOI：
10.1016/j.cej.2023.145217
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发表时间：
2023-08-16
影响因子：
15.1
通讯作者：
Matar，Omar K.
中科院分区：
文献类型：
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作者：
Basha，Nausheen;Savage，Thomas;Matar，Omar K.
活塞流特性在精细/散装化学品、药物、生物燃料和废物处理的各种制造工艺中是有利的，因为它们有助于最大化产品产率。一种这样的多用途流动化学平台是经受振荡运动的盘管反应器，其产生与串联的“N”型良好混合罐等效的优异的活塞流品质。在这项研究中，我们发现这些流动的关键特征，导致高活塞流性能使用数据驱动的方法。这是通过整合贝叶斯优化，代理模型的方法，与计算流体动力学，我们视为一个黑盒函数，以探索参数空间的操作条件，振荡幅度和频率，和净流量。在这里，我们将流动特性作为无量纲Strouhal数、振荡Dean数和雷诺数的函数与反应堆活塞流性能值“N”相关联。在最佳性能的条件下（本文提供了具体示例），振荡流仅足以通过流动反向和重定向来限制轴向分散，并促进迪恩涡流。这种自动化、开源、集成的方法可以很容易地用于识别为其他化学反应器和工艺提供优化性能的流动特性。
Plug flow characteristics are advantageous in various manufacturing processes for fine/bulk chemicals, pharmaceuticals, biofuels, and waste treatment as they contribute to maximising product yield. One such versatile flow chemistry platform is the coiled tube reactor subjected to oscillatory motion, producing excellent plug flow qualities equivalent to well-mixed tanks-in-series ‘N’. In this study, we discover the critical features of these flows that result in high plug flow performance using a data-driven approach. This is done by integrating Bayesian optimisation, a surrogate model approach, with Computational fluid dynamics that we treat as a black-box function to explore the parameter space of the operating conditions, oscillation amplitude and frequency, and net flow rate. Here, we correlate the flow characteristics as a function of the dimensionless Strouhal, oscillatory Dean, and Reynolds numbers to the reactor plug flow performance value ‘N’. Under conditions of optimal performance (specific examples are provided herein), the oscillatory flow is just sufficient to limit axial dispersion through flow reversal and redirection, and to promote Dean vortices. This automated, open-source, integrated method can be easily adapted to identify the flow characteristics that produce an optimised performance for other chemical reactors and processes.