A Computer Vision Approach toward Verifying CFD Models of Stirred Tank Reactors

IF 3.1 3区 化学 Q2 CHEMISTRY, APPLIED Organic Process Research & Development Pub Date : 2024-08-30 DOI:10.1021/acs.oprd.4c0022910.1021/acs.oprd.4c00229
Calum Fyfe, Henry Barrington, Charles M. Gordon and Marc Reid*, 
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Abstract

Mixing is one of the most important nonchemical considerations in the design of scalable processes. While noninvasive imaging approaches to deliver a quantifiable understanding of mixing dynamics are well-known, the use of imaging to verify computational fluid dynamics (CFD) models remains in its infancy. Herein, we use colorimetric reactions and our kinetic imaging software, Kineticolor, to explore (i) the correlation of imaging kinetics with pH probe measurements, (ii) feed point sensitivity for Villermaux–Dushman-type competing parallel reactions, and (iii) the use of experimental imaging kinetic data to qualitatively assess CFD models. We report further evidence that the influences of the stirring rate, baffle presence, and feed position on mixing in a tank reactor can be informatively captured with a camcorder and help experimentally verify CFD models. Overall, this work advances scarce little precedent in demonstrating the use of computer vision to verify CFD models of fluid flow in tank reactors.

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验证搅拌槽反应器 CFD 模型的计算机视觉方法
混合是可扩展工艺设计中最重要的非化学考虑因素之一。众所周知,通过非侵入式成像方法可以量化了解混合动力学,但利用成像来验证计算流体动力学(CFD)模型仍处于起步阶段。在此,我们使用比色反应和我们的动力学成像软件 Kineticolor 探索:(i) 成像动力学与 pH 探针测量的相关性;(ii) Villermaux-Dushman 型竞争并联反应的进料点灵敏度;(iii) 使用实验成像动力学数据定性评估 CFD 模型。我们报告的进一步证据表明,搅拌速率、挡板的存在和进料位置对罐式反应器中混合的影响可以用摄像机进行信息捕捉,并有助于通过实验验证 CFD 模型。总之,这项工作在利用计算机视觉验证罐式反应器中流体流动的 CFD 模型方面开创了鲜有的先例。
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来源期刊
CiteScore
6.90
自引率
14.70%
发文量
251
审稿时长
2 months
期刊介绍: The journal Organic Process Research & Development serves as a communication tool between industrial chemists and chemists working in universities and research institutes. As such, it reports original work from the broad field of industrial process chemistry but also presents academic results that are relevant, or potentially relevant, to industrial applications. Process chemistry is the science that enables the safe, environmentally benign and ultimately economical manufacturing of organic compounds that are required in larger amounts to help address the needs of society. Consequently, the Journal encompasses every aspect of organic chemistry, including all aspects of catalysis, synthetic methodology development and synthetic strategy exploration, but also includes aspects from analytical and solid-state chemistry and chemical engineering, such as work-up tools,process safety, or flow-chemistry. The goal of development and optimization of chemical reactions and processes is their transfer to a larger scale; original work describing such studies and the actual implementation on scale is highly relevant to the journal. However, studies on new developments from either industry, research institutes or academia that have not yet been demonstrated on scale, but where an industrial utility can be expected and where the study has addressed important prerequisites for a scale-up and has given confidence into the reliability and practicality of the chemistry, also serve the mission of OPR&D as a communication tool between the different contributors to the field.
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