A perspective on the past, the present, and the future of computational fluid dynamics (CFD) in flow chemistry

IF 2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Flow Chemistry Pub Date : 2024-02-16 DOI:10.1007/s41981-024-00313-4
Natan Padoin, Tatiana Matiazzo, Humberto Gracher Riella, Cíntia Soares
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Abstract

Flow chemistry is the future of chemical processing. It represents a significant advance in energy consumption and waste generation regarding operations in batch and continuous flow macroscopic equipment since the transport rate (of mass, heat, photons, electrons, etc.) is tremendously intensified. In parallel, computational fluid dynamics (CFD) is part of engineering’s future. Digitalization of transport processes (involving fluid flow and scalar transport, e.g., species, energy, etc.) is the state-of-the-art for designing, optimizing, and scaling chemical reactors, separation and purification units, heat exchangers, etc. This perspective initially presents relevant fundamental CFD concepts applicable to any field. In the sequence, an overview of applications of CFD in flow chemistry reported in the literature over the last two decades is presented, highlighting the evolution of complexity and variety of topics investigated (ranging from single-phase flow optimization to multiphysics cases involving coupling of multiphase flow and external forces—e.g., ultrasound and electric field). Next, the contributions of our research group in CFD in flow chemistry are presented—with a focus on photocatalytic and electrocatalytic systems—and accompanied by highlights about our personal experience. Further discussion about strengths, limitations, and opportunities for CFD in flow chemistry is presented, highlighting to the reader the gaps that should be in the spotlight over the next few years, followed by our final remarks. After reading this perspective, the reader (either a starter in this field or an expert) will be able to identify how CFD has evolved in flow chemistry over the years and what are the next directions from the authors’ point of view.

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透视流动化学中计算流体力学 (CFD) 的过去、现在和未来
流动化学是化学加工的未来。由于(质量、热量、光子、电子等)的传输速率大大提高,因此在批量和连续流宏观设备的操作方面,它代表着能耗和废物产生方面的重大进步。与此同时,计算流体动力学(CFD)也是未来工程技术的一部分。传输过程(涉及流体流动和标量传输,如物种、能量等)的数字化是设计、优化和扩展化学反应器、分离和净化装置、热交换器等的最先进技术。本视角首先介绍了适用于任何领域的相关 CFD 基本概念。接着,概述了过去二十年来文献中报道的 CFD 在流动化学中的应用,强调了复杂性的演变和研究主题的多样性(从单相流优化到涉及多相流与外力(如超声波和电场)耦合的多物理场案例)。接下来,介绍了我们研究小组在流动化学 CFD 方面的贡献--重点是光催化和电催化系统,并重点介绍了我们的个人经验。我们还进一步讨论了 CFD 在流动化学中的优势、局限性和机遇,向读者强调了未来几年应重点关注的差距,最后是我们的结束语。读者(无论是该领域的入门者还是专家)在阅读完本视角后,将能够明确 CFD 在流动化学中多年来的发展历程,以及作者认为的下一个发展方向。
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来源期刊
Journal of Flow Chemistry
Journal of Flow Chemistry CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
6.40
自引率
3.70%
发文量
29
审稿时长
>12 weeks
期刊介绍: The main focus of the journal is flow chemistry in inorganic, organic, analytical and process chemistry in the academic research as well as in applied research and development in the pharmaceutical, agrochemical, fine-chemical, petro- chemical, fragrance industry.
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