Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.14279/19462
Title: Computational fluid dynamics (CFD) and reaction modelling study of bio-oil catalytic hydrodeoxygenation in microreactors
Authors: Hafeez, Sanaa 
Aristodemou, Elsa 
Manos, George 
Al-Salem, S. M. 
Konstantinou, Achilleas 
Major Field of Science: Natural Sciences
Field Category: Chemical Sciences
Keywords: Biomass;Pyrolysis;Simulations;Chemistry;Membrane;Acetone
Issue Date: 2020
Source: Reaction Chemistry & Engineering, 2020, vol. 5, no. 6, pp.1083-1092
Volume: 5
Issue: 6
Start page: 1083
End page: 1092
Journal: Reaction Chemistry & Engineering 
Abstract: A computational fluid dynamics (CFD) model was derived and validated in order to investigate the hydrodeoxygenation reaction of 4-propylguaiacol, which is a lignin-derived compound present in bio-oil. A 2-D packed bed microreactor was simulated using a pre-sulphided NiMo/Al2O3 solid catalyst in isothermal operation. A pseudo-homogeneous model was first created to validate the experimental results from the literature. Various operational parameters were investigated and validated with experimental data, such as temperature, pressure and liquid flow rate, and it was found that the CFD findings were in very good agreement with the results from the literature. The model was then upgraded to that of a detailed multiphase configuration, and phenomena such as internal and external mass transfer limitations were investigated, as well as reactant concentrations on the rate of 4-propylguaiacol. Both models were in agreement with the experimental data, and therefore confirm their ability for applications related to the prediction of the behaviour of bio-oil compound hydrodeoxygenation.
URI: https://hdl.handle.net/20.500.14279/19462
ISSN: 20589883
DOI: 10.1039/d0re00102c
Rights: © Royal Society of Chemistry
Attribution-NonCommercial-NoDerivatives 4.0 International
Type: Article
Affiliation : London South Bank University 
Imperial College London 
University College London 
Kuwait Institute for Scientific Research 
Cyprus University of Technology 
Appears in Collections:Άρθρα/Articles

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