LAPSE:2021.0357
Published Article
LAPSE:2021.0357
CFD Modeling of Spatial Inhomogeneities in a Vegetable Oil Carbonation Reactor
Attila Egedy, Alex Kummer, Sébastien Leveneur, Tamás Varga, Tibor Chován
May 17, 2021
Fossil materials are widely used raw materials in polymerization processes; hence, in many cases, the primary goal of green and sustainable technologies is to replace them with renewables. An exciting and promising technology from this aspect is the isocyanate-free polyurethane production using vegetable oil as a raw material. Functional compounds can be formed by the epoxidation of vegetable oils in three reaction steps: epoxidation, carbonation, and aminolysis. In the case of vegetable oil carbonation, the material properties vary strongly, with the composition affecting the solubility of CO2 in the reaction mixture. Many attempts have been made to model these interactions, but they generally do not account for the changes in the material properties in terms of spatial coordinates. A 2D CFD model based on the combination of the k-ε turbulence model and component mass balances considering the spatial inhomogeneities on the performance of the reactor was created. After the evaluation of the mesh independence study, the simulator was used to calculate the carbonation reaction in a transient analysis with spatial coordinate-dependent density and viscosity changes. The model parameters (height-dependent mass transfer parameters and boundary flux parameters) were identified based on one physical experiment, and a set of 15 experiments were used for model validation. With the validated model, the optimal operating temperature, pressure, and catalyst concentration was proposed.
Keywords
biomass valorization, carbonation modeling, Computational Fluid Dynamics, spatial coordinate-based material properties
Suggested Citation
Egedy A, Kummer A, Leveneur S, Varga T, Chován T. CFD Modeling of Spatial Inhomogeneities in a Vegetable Oil Carbonation Reactor. (2021). LAPSE:2021.0357
Author Affiliations
Egedy A: Department of Process Engineering, University of Pannonia, 10 Egyetem Str., H-8200 Veszprém, Hungary
Kummer A: Department of Process Engineering, University of Pannonia, 10 Egyetem Str., H-8200 Veszprém, Hungary
Leveneur S: Laboratoire de Sécurité des Procédés Chimiques LSPC, EA4704, INSA Rouen, Normandie University, UNIROUEN, 76800 Saint-Étienne-du-Rouvray, France [ORCID]
Varga T: Department of Process Engineering, University of Pannonia, 10 Egyetem Str., H-8200 Veszprém, Hungary
Chován T: Department of Process Engineering, University of Pannonia, 10 Egyetem Str., H-8200 Veszprém, Hungary
Journal Name
Processes
Volume
8
Issue
11
Article Number
E1356
Year
2020
Publication Date
2020-10-27
Published Version
ISSN
2227-9717
Version Comments
Original Submission
Other Meta
PII: pr8111356, Publication Type: Journal Article
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LAPSE:2021.0357
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doi:10.3390/pr8111356
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May 17, 2021
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CC BY 4.0
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May 17, 2021
 
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May 17, 2021
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Original Submitter
Calvin Tsay
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