Computational Modeling in Fluidization Engineering

A special issue of Fluids (ISSN 2311-5521).

Deadline for manuscript submissions: 30 April 2025 | Viewed by 1927

Special Issue Editors


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Guest Editor
1. Facultad de Ingeniería, Universidad Nacional del Comahue, UNCo, Neuquén Q8300, Argentina
2. Instituto de Investigación y Desarrollo en Ingeniería de Procesos, Biotecnología y Energías Alternativas, PROBIEN, CONICET-UNCo, Neuquén Q8300, Argentina
Interests: sustainable chemical and energetic valorization of biowastes; municipal solid waste thermal treatments; cuttings from the oil extraction industry; heterogeneous reactors for clean processes; fluidization engineering; modeling and simulation of fluidized beds
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Guest Editor Assistant
1. Facultad de Ciencias Exactas, Universidad Nacional de Rosario, Ingeniería y Agrimensura, Rosario, Argentina
2. Centro de Investigación en Métodos Computacionales, CONICET, Buenos Aires, Argentina
Interests: CFD; fluidization; granular flow; FVM; heat transfer in fluidized beds

E-Mail Website
Guest Editor Assistant
1. Facultad de Ingeniería, Universidad Nacional del Comahue, UNCo, Neuquén Q8300, Argentina
2. Instituto de Investigación y Desarrollo en Ingeniería de Procesos, Biotecnología y Energías Alternativas, PROBIEN, CONICET-UNCo, Neuquén Q8300, Argentina
Interests: sustainable chemical and energetic valorization of biowastes; municipal solid waste thermal treatments; cuttings from the oil extraction industry; heterogeneous reactors for clean processes; fluidization engineering; computational fluid dynamics (CFD) modeling and simulation of fluidized beds
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

In large-scale processes where fluidized bed reactors are employed, such as in the petroleum, pharmaceutical, and food industries, the optimal operating conditions are determined through trials in existing installed fluidized units or experiments in similarly configured pilot plants. Despite the high costs, detailed experiments provide highly reliable data concerning the process that can help in unit design, but the optimal operating conditions obtained at the pilot scale are not always extrapolatable to larger devices. In this regard, the computational modeling of fluidized beds allows for the understanding and optimization of inherently complex systems involving the exchange of momentum between liquids or gases and solids, with the simultaneous or non-simultaneous development of mass and energy transfer and chemical reactions.

The models commonly employed with a necessarily computational resolution can be formulated on a local or global scale, based on thermodynamics, kinetics, phenomenology, neural networks, or computational fluid dynamics. Although each approach presents different challenges, the results ultimately allow for a more detailed understanding of each process at a relatively low cost and within tight timeframes, even enabling the expansion in the range of experimental operational conditions studied and the identification of process safety-related operational limits.

Prof. Dr. Germán Mazza
Guest Editor

Dr. César Venier
Dr. Andrés Reyes Urrutia
Guest Editor Assistants

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Keywords

  • fluidized bed contactors
  • modeling of processes
  • thermodynamic models
  • kinetic models
  • neural networks
  • computational fluid dynamics (CFD)
  • optimal operating conditions
  • process safety

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Published Papers (2 papers)

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Research

17 pages, 7791 KiB  
Article
Computational Modeling of Biomass Fast Pyrolysis in Fluidized Beds with Eulerian Multifluid Approach
by Cesar M. Venier, Erick Torres, Gastón G. Fouga, Rosa A. Rodriguez, Germán Mazza and Andres Reyes Urrutia
Fluids 2024, 9(12), 301; https://doi.org/10.3390/fluids9120301 - 17 Dec 2024
Viewed by 804
Abstract
This study investigated the fast pyrolysis of biomass in fluidized-bed reactors using computational fluid dynamics (CFD) with an Eulerian multifluid approach. A detailed analysis was conducted on the influence of various modeling parameters, including hydrodynamic models, heat transfer correlations, and chemical kinetics, on [...] Read more.
This study investigated the fast pyrolysis of biomass in fluidized-bed reactors using computational fluid dynamics (CFD) with an Eulerian multifluid approach. A detailed analysis was conducted on the influence of various modeling parameters, including hydrodynamic models, heat transfer correlations, and chemical kinetics, on the product yield. The simulation framework integrated 2D and 3D geometrical setups, with numerical experiments performed using OpenFOAM v11 and ANSYS Fluent v18.1 for cross-validation. While yield predictions exhibited limited sensitivity to drag and thermal models (with differences of less than 3% across configurations and computational codes), the results underline the paramount role of chemical kinetics in determining the distribution of bio-oil (TAR), biochar (CHAR), and syngas (GAS). Simplified kinetic schemes consistently underestimated TAR yields by up to 20% and overestimated CHAR and GAS yields compared to experimental data (which is shown for different biomass compositions and different operating conditions) and can be significantly improved by redefining the reaction scheme. Refined kinetic parameters improved TAR yield predictions to within 5% of experimental values while reducing discrepancies in GAS and CHAR outputs. These findings underscore the necessity of precise kinetic modeling to enhance the predictive accuracy of pyrolysis simulations. Full article
(This article belongs to the Special Issue Computational Modeling in Fluidization Engineering)
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15 pages, 4004 KiB  
Article
Combining CFD and AI/ML Modeling to Improve the Performance of Polypropylene Fluidized Bed Reactors
by Nayef Ghasem
Fluids 2024, 9(12), 298; https://doi.org/10.3390/fluids9120298 - 16 Dec 2024
Viewed by 783
Abstract
Polypropylene is one of the most widely used polymers in various applications, ranging from packaging materials to automotive components. This paper proposes the Computational Fluid Dynamics (CFD) and AI/ML simulation of a polypropylene fluidized bed reactor to reduce reactor loss and facilitate process [...] Read more.
Polypropylene is one of the most widely used polymers in various applications, ranging from packaging materials to automotive components. This paper proposes the Computational Fluid Dynamics (CFD) and AI/ML simulation of a polypropylene fluidized bed reactor to reduce reactor loss and facilitate process understanding. COMSOL Multiphysics 6.2® solves a 2D multiphase CFD model for the reactor’s complex gas–solid interactions and fluid flows. The model is compared to experimental results and shows excellent predictions of gas distribution, fluid velocity, and temperature gradients. Critical operating parameters like feed temperature, catalyst feed rate, and propylene inlet concentration are all tested to determine their impact on the single-pass conversion of the reactor. The simulation simulates their effects on polypropylene yield and reactor efficiency. It also combines CFD with artificial intelligence and machine learning (AI/ML) algorithms, like artificial neural networks (ANN), resulting in a powerful predictive tool for accurately predicting reactor metrics based on operating conditions. The multifaceted CFD-AI/ML tool provides deep insight into improving reactor design, and it also helps save computing time and resources, giving industrial polypropylene plant growth a considerable lift. Full article
(This article belongs to the Special Issue Computational Modeling in Fluidization Engineering)
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