Computational methodology for the development of microdevices and microreactors with ANSYS CFX

Santana, Harrson Silva; Silva, Adriano G. P. da; Lopes, Mariana Garcia Mendonça; Rodrigues, Alan; Taranto, Osvaldir Pereira; Silva, João Lameu

doi:10.1016/j.mex.2019.12.006

Cited by 25 publications

(10 citation statements)

References 15 publications

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“…Despite the vast number of software available on the market, the basic principle is the same for everyone, where the CFD code is divided into three main steps: pre-processing, solver and post-processing. With this, it is possible to evaluate fluid flows, evaluate the influence of channel geometry only with virtual prototypes and optimize the micro-reactive system (Santana et al, 2020).…”

Section: Computational Fluid Dynamics Towards An Optimized Photoredox...mentioning

confidence: 99%

Modeling and Simulation of Reaction Environment in Photoredox Catalysis: A Critical Review

et al. 2022

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From the pharmaceutical industry’s point of view, photoredox catalysis has emerged as a powerful tool in the field of the synthesis of added-value compounds. With this method, it is possible to excite the catalyst by the action of light, allowing electron transfer processes to occur and, consequently, oxidation and reduction reactions. Thus, in association with photoredox catalysis, microreactor technology and continuous flow chemistry also play an important role in the development of organic synthesis processes, as this technology offers high yields, high selectivity and reduced side reactions. However, there is a lack of a more detailed understanding of the photoredox catalysis process, and computational tools based on computational fluid dynamics (CFD) can be used to deal with this and boost to reach higher levels of accuracy to continue innovating in this area. In this review, a comprehensive overview of the fundamentals of photoredox catalysis is provided, including the application of this technology for the synthesis of added-value chemicals in microreactors. Moreover, the advantages of the continuous flow system in comparison with batch systems are pointed out. It was also demonstrated how modeling and simulation using computational fluid dynamics (CFD) can be critical for the design and optimization of microreactors applied to photoredox catalysis, so as to better understand the reagent interactions and the influence of light in the reaction medium. Finally, a discussion about the future prospects of photoredox reactions considering the complexity of the process is presented.

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Section: Computational Fluid Dynamics Towards An Optimized Photoredox...mentioning

confidence: 99%

Modeling and Simulation of Reaction Environment in Photoredox Catalysis: A Critical Review

et al. 2022

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“…In turn, the skewness characterizes the proximity of the ideal geometry (in this case, the tetrahedron), the mesh cells, or faces (with recommended values between 0 and 0.5). Finally, orthogonal quality defines the element's orthogonality (with recommended values close to 1) [16].…”

Section: Numerical Applicationsmentioning

confidence: 99%

Influence of Wind Angle Incidence and Architectural Elements on the External Pressure Coefficient of Hyperbolic Paraboloid Roofs

Campos

2022

Design, Construction, Maintenance

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In the study of wind loads in buildings, the aerodynamics of roofs with parabolic shapes, which cause complex pressure distributions due to their sensitivity to wind, are often omitted and neglected by several codes and norms. In this way, computer simulations are a viable and reliable alternative. Here, wind action was considered in an innovative project composed of parabolic and circumferential generatrices: the Church of Saint Francis of Assisi. Designed by Brazilian architect Oscar Niemeyer in Belo Horizonte, Brazil, two paraboloid vaults and three circular arches of reinforced concrete composed its structure. This work generated great international recognition for the architect after 1943, as the design of the roofs did not require walls. For geometry modeling, Autodesk AutoCAD software was adopted, and the models were considered in a control volume. The simulations were performed using Ansys Workbench software and the RNG K-Epsilon turbulence model. The wind speed at different heights was calculated using the Power-law approximation. A basic wind speed of 30 m/s was adopted, and the mesh used was composed of tetrahedrons. To validate the methodology, different models with hyperbolic-paraboloid roofs from the literature were considered. In addition, the visualization of the flow around the geometry from the streamlines, the wind profile, and the analysis of the isobaric lines of the external pressure coefficients for different directions of incidence and architectural elements that make up the building were presented.

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“…The standard k-ε turbulence model in the equation below is used to simulate the flow conditions in the hospital ward (Launder 1972;Santana et al 2020;Saw et al 2018;Versteeg and Malalasekera 1995).…”

Section: Governing Equationmentioning

confidence: 99%

Modeling aerosol transmission of SARS-CoV-2 from human-exhaled particles in a hospital ward

Saw

Leo

Nor

et al. 2021

Environ Sci Pollut Res

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The COVID-19 pandemic has plunged the world into uncharted territory, leaving people feeling helpless in the face of an invisible threat of unknown duration that could adversely impact the national economic growths. According to the World Health Organization (WHO), the SARS-CoV-2 spreads primarily through droplets of saliva or discharge from the mouth or nose when an infected person coughs or sneezes. However, the transmission of the SARS-CoV-2 through aerosols remains unclear. In this study, computational fluid dynamic (CFD) is used to complement the investigation of the SARS-CoV-2 transmission through aerosol. The Lagrangian particle tracking method was used to analyze the dispersion of the exhaled particles from a SARS-CoV-2-positive patient under different exhale activities and different flow rates of chilled (cooling) air supply. Air sampling of the SARS-CoV-2 patient ward was conducted for 48-h measurement intervals to collect the indoor air sample for particulate with diameter less than 2.5 μm. Then, the reverse transcription quantitative real-time polymerase chain reaction (RT-qPCR) was conducted to analyze the collected air sample. The simulation demonstrated that the aerosol transmission of the SARS-CoV-2 virus in an enclosed room (such as a hospital ward) is highly possible.

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Computational methodology for the development of microdevices and microreactors with ANSYS CFX

Abstract: Graphical abstract

Cited by 25 publications

References 15 publications

Modeling and Simulation of Reaction Environment in Photoredox Catalysis: A Critical Review

Modeling and Simulation of Reaction Environment in Photoredox Catalysis: A Critical Review

Influence of Wind Angle Incidence and Architectural Elements on the External Pressure Coefficient of Hyperbolic Paraboloid Roofs

Modeling aerosol transmission of SARS-CoV-2 from human-exhaled particles in a hospital ward

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