Computational Fluid Dynamic (CFD) and Reaction Modelling Study 6 of Bio-oil Catalytic Hydrodeoxygenation in Microreactors

Journal article

Constantinou, A, Hafeez, S, Aristodemou, E, Manos, G and Al-Salem, S (2020). Computational Fluid Dynamic (CFD) and Reaction Modelling Study 6 of Bio-oil Catalytic Hydrodeoxygenation in Microreactors. Reaction Chemistry and Engineering. 5, pp. 1083-1092. https://doi.org/10.1039/D0RE00102C
AuthorsConstantinou, A, Hafeez, S, Aristodemou, E, Manos, G and Al-Salem, S
Abstract

A Computational Fluid Dynamic (CFD) model was derived and validated, in order to, investigate the hydrodeoxygenation 9 reaction of 4-propylguaiacol, which is a lignin-derived compound present in bio-oil. A 2-D packed bed microreactor was 10 simulated using pre-sulphided NiMo/Al2O3 solid catalyst in isothermal operation. A pseudo-homogeneous model was first 11 created to validate the experimental results from literature. Various operational parameters were investigated and validated 12 with the experimental data, such as temperature, pressure and liquid flow rate; and it was found that the CFD findings were 13 in very good agreement with the results from literature. The model was then upgraded to that of a detailed multiphase 14 configuration; and phenomena such as internal and external mass transfer limitations were investigated, as well as, reactant 15 concentrations on the rate of 4-propylguaiacol. Both models agreed with the experimental data, and therefore confirm their 16 ability for applications related to the prediction of the behaviour of bio-oil compounds hydrodeoxygenation.

Year2020
JournalReaction Chemistry and Engineering
Journal citation5, pp. 1083-1092
PublisherRoyal Society of Chemistry (RSC)
ISSN2058-9883
Digital Object Identifier (DOI)https://doi.org/10.1039/D0RE00102C
Publication dates
Print30 Apr 2020
Publication process dates
Accepted14 Apr 2020
Deposited30 Apr 2020
Accepted author manuscript
License
File Access Level
Open
Permalink -

https://openresearch.lsbu.ac.uk/item/899q5

Download files

Accepted author manuscript
Computational Fluid Dynamic (CFD) and Reaction Modelling Study of Bio-oil Catalytic Hydrodeoxygenation in Microreactors_AConstantinou.pdf
License: CC BY 4.0
File access level: Open

  • 231
    total views
  • 167
    total downloads
  • 1
    views this month
  • 5
    downloads this month

Export as

Related outputs

A short review of vapour droplet dispersion models used in CFD to study the airborne spread of COVID19.
Mehade Hussain, S., Goel, S., Kadapa, C. and Aristodemou, E. (2022). A short review of vapour droplet dispersion models used in CFD to study the airborne spread of COVID19. Materials Today: Proceedings. https://doi.org/10.1016/j.matpr.2022.03.724
Decomposition of Additive-Free Formic Acid Using a Pd/C Catalyst in Flow: Experimental and CFD Modelling Studies
Hafeez, S., Sanchez, F., Al-Salem, S., Villa, A., Manos, G., Dimitratos, N. and Constantinou, A. (2021). Decomposition of Additive-Free Formic Acid Using a Pd/C Catalyst in Flow: Experimental and CFD Modelling Studies. Catalysts. 11 (3), p. e341. https://doi.org/10.3390/catal11030341
Microbial Electrolysis Cells for Decentralised Wastewater Treatment: The Next Steps
Fudge, T., Bulmer, I., Bowman, K., Pathmakanthan, S., Gambier, W., Dehouche, Z., Al-Salem, S. and Constantinou, A. (2021). Microbial Electrolysis Cells for Decentralised Wastewater Treatment: The Next Steps. Water. 13 (4), p. e445. https://doi.org/10.3390/w13040445
Experimental and Process Modelling Investigation of the Hydrogen Generation from Formic Acid Decomposition Using a Pd/Zn Catalyst
Hafeez, S., Barlocco, I., Al-Salem, S., Villa, A., Chen, X., Delgado, J.J., Manos, G., Dimitratos, N. and Constantinou, A. (2021). Experimental and Process Modelling Investigation of the Hydrogen Generation from Formic Acid Decomposition Using a Pd/Zn Catalyst. Applied Sciences. 11 (18), p. e8462. https://doi.org/10.3390/app11188462
Process Simulation Modelling of the Catalytic Hydrodeoxygenation of 4-Propylguaiacol in Microreactors
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
Theoretical Investigation of the Deactivation of Ni Supported Catalysts for the Catalytic Deoxygenation of Palm Oil for Green Diesel Production
Hafeez, S., Al-Salem, S., Papageridis, Kyriakos N, Charisiou, Nikolaos D, Goula, M., Manos, G. and Constantinou, A. (2021). Theoretical Investigation of the Deactivation of Ni Supported Catalysts for the Catalytic Deoxygenation of Palm Oil for Green Diesel Production. Catalysts. 11 (6), p. e747. https://doi.org/10.3390/catal11060747
CFD Study of the Numbering up of Membrane Microreactors for CO 2 Capture
Harkou, Eleana, Hafeez, S., Manos, G. and Constantinou, A. (2021). CFD Study of the Numbering up of Membrane Microreactors for CO 2 Capture. Processes. 9 (9), p. e1515. https://doi.org/10.3390/pr9091515
Can plastic waste management be a novel solution in combating the novel Coronavirus (COVID-19)? A short research note
Al-Salem, S., El-Eskandarani, M.S. and Constantinou, A. (2020). Can plastic waste management be a novel solution in combating the novel Coronavirus (COVID-19)? A short research note. Waste Management & Research: The Journal for a Sustainable Circular Economy. 39 (7), pp. 910-913. https://doi.org/10.1177/0734242x20978444
Modelling of Packed Bed and Coated Wall Microreactors for 6 Methanol Steam Reforming for Hydrogen Production
Constantinou, A., Hafeez, S., Aristodemou, E. and S.M, A.-S. (2020). Modelling of Packed Bed and Coated Wall Microreactors for 6 Methanol Steam Reforming for Hydrogen Production. RSC Advances: an international journal to further the chemical sciences. 68. https://doi.org/10.1039/D0RA06834A
Assessing the Horizontal Homogeneity of the Atmospheric Boundary Layer (HHABL) Profile Using Different CFD Software
Abohela, I, Aristodemou, E, Hadawey, A and Sundararajan, R (2020). Assessing the Horizontal Homogeneity of the Atmospheric Boundary Layer (HHABL) Profile Using Different CFD Software. Atmosphere. 11 (10), pp. 1138-1138. https://doi.org/10.3390/atmos11101138
CO2 capture using membrane contactors: a systematic literature review
Hafeez, S, Safdar, T, Pallari, E, Manos, G, Aristodemou, E, Zhang, Z, Al-Salem, SM and Constantinou, A (2020). CO2 capture using membrane contactors: a systematic literature review. Frontiers of Chemical Science and Engineering.
Turbulent Flows and Pollution Dispersion around Tall Buildings Using Adaptive Large Eddy Simulation (LES)
Aristodemou, E., Mottet, L., Constantinou, A. and Pain, C. (2020). Turbulent Flows and Pollution Dispersion around Tall Buildings Using Adaptive Large Eddy Simulation (LES). Buildings. 70 (7). https://doi.org/10.3390/buildings10070127
Fuel Production Using Membrane Reactors
Constantinou, A, Hafeez, S, Manos, G and Al-Salem, S (2020). Fuel Production Using Membrane Reactors. Environmental Chemistry Letters. 159. https://doi.org/10.1007/s10311-020-01024-7
Identification of Commercial Oxo-Biodegradable Plastics: Study of UV Induced Degradation in an Effort 1 to Combat Plastic Waste Accumulation
Constantinou, A, Antelava, A, Bumajdad, A, Manos, G, Dewil, R and Al-Salem, S (2020). Identification of Commercial Oxo-Biodegradable Plastics: Study of UV Induced Degradation in an Effort 1 to Combat Plastic Waste Accumulation. Journal of Polymers and the Environment. https://doi.org/10.1007/s10924-020-01776-x
Exact Matrix Treatment of the Statistical Mechanics ofAdsorption of Large Aromatic Molecules on Graphene.
Dunne, L and Manos, G (2020). Exact Matrix Treatment of the Statistical Mechanics ofAdsorption of Large Aromatic Molecules on Graphene. Physical Chemistry Chemical Physics. https://doi.org/10.1039/D0CP00255K.
Membrane Reactors for Renewable Fuel Production and Their Environmental Benefits
Hafeez, S., Al-Salem, S.M. and Constantinou, A. (2020). Membrane Reactors for Renewable Fuel Production and Their Environmental Benefits. in: Zhang, Z (ed.) Membranes for Environmental Applications Springer.
A review of the valorization and management of industrial spent catalyst waste in the context of sustainable practice: The case of the State of Kuwait in parallel to European industry
Hafeez, S., Al-Salem, S., Constantinou, A., Leeke, G A., Safdar, T. and Manos, G. (2019). A review of the valorization and management of industrial spent catalyst waste in the context of sustainable practice: The case of the State of Kuwait in parallel to European industry. Waste Management & Research: The Journal for a Sustainable Circular Economy. 37 (11), pp. 1127-1141. https://doi.org/10.1177/0734242X19876689
Enhancing CFD-LES air pollution prediction accuracy using data assimilation
Aristodemou, E., Arcucci, R, Mottet, L, Robins, A, Pain, C and Guo, Y (2019). Enhancing CFD-LES air pollution prediction accuracy using data assimilation. Building and Environment. 165. https://doi.org/10.1016/j.buildenv.2019.106383
A large eddy simulation of the dispersion of traffic emissions by moving vehicles at an intersection
Woodward, H, Stettler, M, Pavlidis, D, Aristodemou, E., ApSimon, H and Pain, C (2019). A large eddy simulation of the dispersion of traffic emissions by moving vehicles at an intersection. Atmopsheric Environment. 215, p. 116891. https://doi.org/10.1016/j.atmosenv.2019.116891
A Review of The Valorisation and Management of Industrial Spent Catalyst Waste in The Context of Sustainable Practice: The Case of The State of Kuwait in Parallel to European Industry
Constantinou, A., Al-Salem, S., Leeke, G.A., Hafeez, S., Karam, H.J., Al-Qassimi, M., Al-Dhafeeri, A.T., Manos, G. and Arena, U. (2019). A Review of The Valorisation and Management of Industrial Spent Catalyst Waste in The Context of Sustainable Practice: The Case of The State of Kuwait in Parallel to European Industry. Waste Management and Research. 37 (11), pp. 1127-1141. https://doi.org/10.1177/0734242X1987668
Continuous Flow Aerobic Oxidation of Benzyl Alcohol on RuAl2O3 Catalyst in a Flat Membrane Microchannel Reactor an Experimental and Modelling Study
Constantinou, A, Gaowei, W, Ellis, P, Kuhn, S, Enhong, C and Gavriilidis, A (2019). Continuous Flow Aerobic Oxidation of Benzyl Alcohol on RuAl2O3 Catalyst in a Flat Membrane Microchannel Reactor an Experimental and Modelling Study. Chemical Engineering Science. 201, pp. 386-396. https://doi.org/10.1016/j.ces.2019.02.015
A domain decomposition non-intrusive reduced order model for turbulent flows
Xiao, D, Heaney, CE, Fang, F, Mottet, L, Hu, R, Bistrian, DA, Aristodemou, E, Navon, IM and Pain, CC (2019). A domain decomposition non-intrusive reduced order model for turbulent flows. Computers and Fluids. 182, pp. 15-27. https://doi.org/10.1016/j.compfluid.2019.02.012
Plastic Solid Waste (PSW) in the Context of Life Cycle Assessment (LCA) and Sustainable Management
Constantinou, A, Antelava, A, Hafeez, S, Manos, G, Al-Salem, S, Sharma, B K and Kohli, K (2019). Plastic Solid Waste (PSW) in the Context of Life Cycle Assessment (LCA) and Sustainable Management. Environmental Management. 64, pp. 230-244. https://doi.org/10.1007/s00267-019-01178-3
Catalytic conversion and chemical recovery
Constantinou, A, Hafeez, S, Pallari, E and Manos, G (2018). Catalytic conversion and chemical recovery. in: Al-Salem, S (ed.) Plastics to Energy: Fuel, chemicals and sustainable implications Oxford Elsevier. pp. 147-172
Design and Limitations in Polymer Cracking Fluidized Beds for Energy Recovery’
Constantinou, A, Pallari, E, Antelava, A and Manos, G (2019). Design and Limitations in Polymer Cracking Fluidized Beds for Energy Recovery’. in: Al-Salem, S (ed.) Plastics Conversion to Energy, Chemicals, Fuel and Sustainable Implications - Elsevier. pp. 221-231
Liquid fuel synthesis in microreactors
Hafeez, S, Manos, G, Al-Salem, S, Aristodemou, E and Constantinou, A (2018). Liquid fuel synthesis in microreactors. Reaction Chemistry and Engineering. (4). https://doi.org/10.1039/c8re00040a
Natural ventilation in cities: the implications of fluid mechanics
Song, J, Fan, S, Lin, W, Mottet, L, Woodward, H, Davies Wykes, M, Arcucci, R, Dunhui, X, Debay, J-E, ApSimon, H, Aristodemou, E, Birch, D, Carpentieri, M, Fang, F, Herzog, M, Hunt, GR, Jones, LR, Pain, C, Pavlidis, D, Robins, AG, Short, CA and Linden, P (2018). Natural ventilation in cities: the implications of fluid mechanics. Building Research & Information. 46 (8), pp. 809-828. https://doi.org/10.1080/09613218.2018.1468158
Development of a Flat Membrane Microchannel Packed- Bed Reactor for Scalable Aerobic Oxidation of Benzyl Alcohol in Flow
Wu, G, Cao, E, Ellis, P, Constantinou, A, Kuhn, S and Gavriilidis, A (2018). Development of a Flat Membrane Microchannel Packed- Bed Reactor for Scalable Aerobic Oxidation of Benzyl Alcohol in Flow. Chemical Engineering Journal. 377, p. 120086. https://doi.org/10.1016/j.cej.2018.10.023
Predicting the Features of Methane Adsorption in Large Pore Metal-Organic Frameworks for Energy Storage
Dunne, L and Manos, G (2018). Predicting the Features of Methane Adsorption in Large Pore Metal-Organic Frameworks for Energy Storage. Nanomaterials. 8 (10), p. 818. https://doi.org/10.3390/nano8100818
Aerobic Oxidation of Benzyl Alcohol in a Continuous Catalytic Membrane Reactor
Constantinou, A, Gaowei, W, Baldassarre, V, Ellis, P, Kuhn, S and Gavriilidis, A (2018). Aerobic Oxidation of Benzyl Alcohol in a Continuous Catalytic Membrane Reactor. Topics in Catalysis. 62, pp. 1126-1131. https://doi.org/10.1007/s11244-018-1060-9
A review on thermal and catalytic pyrolysis of plastic solid waste
Al-Salem, S.M., Antelava, A., Constantinou, A, Manos, G. and Dutta, A. (2017). A review on thermal and catalytic pyrolysis of plastic solid waste. Journal of Environmental Management. 197, pp. 177-198. https://doi.org/10.1016/j.jenvman.2017.03.084
How tall buildings affect turbulent air flows and dispersion of pollution within a neighbourhood
Aristodemou, E., Boganegra, L.M., Mottet, L., Pavlidis, D., Constantinou, A, Pain, C., Robins, A. and ApSimon, H. (2017). How tall buildings affect turbulent air flows and dispersion of pollution within a neighbourhood. Environmental Pollution. 233, pp. 782-796. https://doi.org/10.1016/j.envpol.2017.10.041
CO2 absorption in flat membrane microstructured contactors of different wettability using aqueous solution of NaOH
Constantinou, A (2017). CO2 absorption in flat membrane microstructured contactors of different wettability using aqueous solution of NaOH. Green Processing and Synthesis. 7 (6). https://doi.org/10.1515/gps-2017-0024
Simulating Turbulent Air Flows In Central London And Studying Effect Of Tall Buildings
Aristodemou, E (2016). Simulating Turbulent Air Flows In Central London And Studying Effect Of Tall Buildings. 17th International Conference on Harmonisation within Atmospheric Dispersion Modelling for Regulatory Purposes. Budapest, Hungary 09 - 12 May 2016
Aerobic oxidations in flow: opportunities for the fine chemicals and pharmaceuticals industries
Gavriilidis, A., Constantinou, A, Hellgardt, K., Hii, K.K.(M), Hutchings, G.J., Brett, G.L., Kuhn, S. and Marsden, S.P. (2016). Aerobic oxidations in flow: opportunities for the fine chemicals and pharmaceuticals industries. Reaction Chemistry and Engineering. 1, pp. 595-612. https://doi.org/10.1039/c6re00155f
Exact matrix treatment of an osmotic ensemble model of adsorption and pressure induced structural transitions in metal organic frameworks
Dunne, LJ and Manos, G (2015). Exact matrix treatment of an osmotic ensemble model of adsorption and pressure induced structural transitions in metal organic frameworks. Dalton Transactions. 45 (10), pp. 4213-4217. https://doi.org/10.1039/c5dt03248b