TY - JOUR
T1 - A numerical performance study of a fixed-bed reactor for methanol synthesis by CO2 hydrogenation
AU - Izbassarov, Daulet
AU - Nyári, Judit
AU - Tekgül, Bulut
AU - Laurila, Erkki
AU - Kallio, Tanja
AU - Santasalo-Aarnio, Annukka
AU - Kaario, Ossi
AU - Vuorinen, Ville
N1 - Funding Information:
The authors acknowledge to the Academy of Finland for the support of this research through Grant Nos. 332835 , 333069 and profiling funding 5 for Energy Storage with grant number 326346 . This work was supported by the Aalto University under grant 97410923 . Business Finland is acknowledged for the main financial support (grant 8797/31/2019 ) of the P2XEnable project (p2xenable.fi). The project partners are also thanked for their financial contributions. The authors are grateful for the use of the computer facilities within the Aalto University School of Science “Science-IT” project. We thank Atmadeep Bhattacharya for fruitful discussions during writing the manuscript.
Publisher Copyright:
© 2021 The Author(s)
PY - 2021/4/26
Y1 - 2021/4/26
N2 - Synthetic fuels are needed to replace their fossil counterparts for clean transport. Presently, their production is still inefficient and costly. To enhance the process of methanol production from CO2 and H2 and reduce its cost, a particle-resolved numerical simulation tool is presented. A global surface reaction model based on the Langmuir-Hinshelwood-Hougen-Watson kinetics is utilized. The approach is first validated against standard benchmark problems for non-reacting and reacting cases. Next, the method is applied to study the performance of methanol production in a 2D fixed-bed reactor under a range of parameters. It is found that methanol yield enhances with pressure, catalyst loading, reactant ratio, and packing density. The yield diminishes with temperature at adiabatic conditions, while it shows non-monotonic change for the studied isothermal cases. Overall, the staggered and the random catalyst configurations are found to outperform the in-line system.
AB - Synthetic fuels are needed to replace their fossil counterparts for clean transport. Presently, their production is still inefficient and costly. To enhance the process of methanol production from CO2 and H2 and reduce its cost, a particle-resolved numerical simulation tool is presented. A global surface reaction model based on the Langmuir-Hinshelwood-Hougen-Watson kinetics is utilized. The approach is first validated against standard benchmark problems for non-reacting and reacting cases. Next, the method is applied to study the performance of methanol production in a 2D fixed-bed reactor under a range of parameters. It is found that methanol yield enhances with pressure, catalyst loading, reactant ratio, and packing density. The yield diminishes with temperature at adiabatic conditions, while it shows non-monotonic change for the studied isothermal cases. Overall, the staggered and the random catalyst configurations are found to outperform the in-line system.
KW - Catalyst particles
KW - CFD
KW - CO hydrogenation
KW - Methanol synthesis
KW - OpenFOAM
UR - http://www.scopus.com/inward/record.url?scp=85102068502&partnerID=8YFLogxK
U2 - 10.1016/j.ijhydene.2021.02.031
DO - 10.1016/j.ijhydene.2021.02.031
M3 - Article
AN - SCOPUS:85102068502
VL - 46
SP - 15635
EP - 15648
JO - International Journal of Hydrogen Energy
JF - International Journal of Hydrogen Energy
SN - 0360-3199
IS - 29
ER -