Process Simulation Modelling of the Catalytic Hydrodeoxygenation of 4-Propylguaiacol in Microreactors

Journal article

Hafeez, S., Mahmood, S., Aristodemou, E., Al-Salem, S., Manos, G. and Constantinou, A. (2021). Process Simulation Modelling of the Catalytic Hydrodeoxygenation of 4-Propylguaiacol in Microreactors. Fuels. 2 (3), pp. 272-285. https://doi.org/10.3390/fuels2030016
AuthorsHafeez, S., Mahmood, S., Aristodemou, E., Al-Salem, S., Manos, G. and Constantinou, A.
AbstractA process simulation model was created using Aspen Plus to investigate the hydrodeoxygenation of 4-propylguaiacol, a model component in lignin-derived pyrolysis oil, over a presulphided NiMo/Al2O3 solid catalyst. Process simulation modelling methods were used to develop the pseudo-homogeneous packed bed microreactor. The reaction was conducted at 400 °C and an operating pressure of 300 psig with a 4-propylguaiacol liquid flow rate of 0.03 mL·min−1 and a hydrogen gas flow rate of 0.09 mL·min−1. Various operational parameters were investigated and compared to the experimental results in order to establish their effect on the conversion of 4-propylguaiacol. The parameters studied included reaction temperature, pressure, and residence time. Further changes to the simulation were made to study additional effects. In doing so, the operation of the same reactor was studied adiabatically, rather than isothermally. Moreover, different equations of state were used. It was observed that the conversion was enhanced with increasing temperature, pressure, and residence time. The results obtained demonstrated a good model validation when compared to the experimental results, thereby confirming that the model is suitable to predict the hydrodeoxygenation of pyrolysis oil.
Keywordsmicroreactors; 4-propylguaiacol; pyrolysis oil; hydrodeoxygenation; pseudo-homogeneous; biomass
Year2021
JournalFuels
Journal citation2 (3), pp. 272-285
PublisherMDPI
ISSN2673-3994
Digital Object Identifier (DOI)https://doi.org/10.3390/fuels2030016
Publication dates
Online16 Jul 2021
Publication process dates
Accepted13 Jul 2021
Deposited24 Mar 2022
Publisher's version
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Open
Licensehttps://creativecommons.org/licenses/by/4.0/
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