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

Hafeez, S; Mahmood, S; Aristodemou, E; Al-Salem, SM; Manos, G; Constantinou, A; (2021) Process Simulation Modelling of the Catalytic Hydrodeoxygenation of 4-Propylguaiacol in Microreactors. Fuels , 2 (3) pp. 272-285. 10.3390/fuels2030016. Green open access

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Abstract

A 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.

Type: Article
Title: Process Simulation Modelling of the Catalytic Hydrodeoxygenation of 4-Propylguaiacol in Microreactors
Open access status: An open access version is available from UCL Discovery
DOI: 10.3390/fuels2030016
Publisher version: https://doi.org/10.3390/fuels2030016
Language: English
Additional information: This is an open access article distributed under the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited
Keywords: microreactors; 4-propylguaiacol; pyrolysis oil; hydrodeoxygenation; pseudo-homogeneous; biomass
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering
URI: https://discovery.ucl.ac.uk/id/eprint/10131673
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