Particle-ResolvedCFD Simulation of Diluted CatalyticFixed Bed Reactors for Formaldehyde Production Article Swipe
Martin Kutscherauer (9914272)
,
Gregor D. Wehinger (7040180)
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1021/acsengineeringau.5c00012.s001
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1021/acsengineeringau.5c00012.s001
In catalytic fixed bed reactors for highly exothermic reactions, the bed is often diluted with inert particles to prevent thermal runaway and to distribute the reaction more homogeneously along the reactor length. The partial oxidation of methanol to formaldehyde is an example with high industrial relevance, in which diluted fixed beds are applied. In this work, particle-resolved computational fluid dynamics (PRCFD) simulations are conducted for the hotspot region (0–0.5 m) of an industrial scale fixed bed for formaldehyde production to systematically investigate the impact of dilution on integral reactor performance and locally distributed quantities, such as the temperature and catalyst effectiveness factor. PRCFD is the most detailed modeling approach for the simulation of diluted fixed beds since the spatial resolution of the fixed bed geometry allows the inert particles to be considered directly without the implementation of averaged activity factors. Different catalyst distributions have a significant effect on integral conversion, hotspot formation, and catalyst overheating while increasing the inert thermal conductivity has only a minor impact on heat transport and hence reaction. The difference between the maximum catalyst temperature of two different catalyst arrangements can reach 34 K. Finally, the present study demonstrates that even highly diluted fixed beds with industrial particle and tube dimensions are not suited to perform intrinsic kinetic measurements for the partial oxidation of methanol because of catalyst overheating (ΔT = 23.12 K) and pore diffusion limitation (ηi,FA < 0.5).
Related Topics
Concepts
Exothermic reaction
Overheating (electricity)
Catalysis
Inert
Methanol
Formaldehyde
Dilution
Materials science
Partial oxidation
Chemical engineering
Packed bed
Thermal
Inert gas
Thermal conductivity
Heat transfer
Thermal runaway
Computational fluid dynamics
Damköhler numbers
Heterogeneous catalysis
Catalytic oxidation
Trickle-bed reactor
Particle size
Waste management
Steam reforming
Chemical reactor
Thermodynamics
Chemistry
Mechanics
Diffusion
Metadata
- Type
- article
- OA Status
- green
- OpenAlex ID
- https://openalex.org/W7111015771
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W7111015771Canonical identifier for this work in OpenAlex
- DOI
-
https://doi.org/10.1021/acsengineeringau.5c00012.s001Digital Object Identifier
- Title
-
Particle-ResolvedCFD Simulation of Diluted CatalyticFixed Bed Reactors for Formaldehyde ProductionWork title
- Type
-
articleOpenAlex work type
- Publication year
-
2025Year of publication
- Publication date
-
2025-04-01Full publication date if available
- Authors
-
Martin Kutscherauer (9914272), Gregor D. Wehinger (7040180)List of authors in order
- Open access
-
YesWhether a free full text is available
- OA status
-
greenOpen access status per OpenAlex
- Concepts
-
Exothermic reaction, Overheating (electricity), Catalysis, Inert, Methanol, Formaldehyde, Dilution, Materials science, Partial oxidation, Chemical engineering, Packed bed, Thermal, Inert gas, Thermal conductivity, Heat transfer, Thermal runaway, Computational fluid dynamics, Damköhler numbers, Heterogeneous catalysis, Catalytic oxidation, Trickle-bed reactor, Particle size, Waste management, Steam reforming, Chemical reactor, Thermodynamics, Chemistry, Mechanics, DiffusionTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
0Total citation count in OpenAlex
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| abstract_inverted_index.Finally, | 188 |
| abstract_inverted_index.activity | 138 |
| abstract_inverted_index.applied. | 52 |
| abstract_inverted_index.approach | 108 |
| abstract_inverted_index.averaged | 137 |
| abstract_inverted_index.catalyst | 99, 141, 153, 177, 182, 221 |
| abstract_inverted_index.detailed | 106 |
| abstract_inverted_index.dilution | 85 |
| abstract_inverted_index.directly | 132 |
| abstract_inverted_index.dynamics | 59 |
| abstract_inverted_index.factors. | 139 |
| abstract_inverted_index.geometry | 124 |
| abstract_inverted_index.integral | 87, 148 |
| abstract_inverted_index.methanol | 36, 218 |
| abstract_inverted_index.modeling | 107 |
| abstract_inverted_index.particle | 201 |
| abstract_inverted_index.reaction | 25 |
| abstract_inverted_index.reactors | 4 |
| abstract_inverted_index.Different | 140 |
| abstract_inverted_index.catalytic | 1 |
| abstract_inverted_index.conducted | 63 |
| abstract_inverted_index.different | 181 |
| abstract_inverted_index.diffusion | 229 |
| abstract_inverted_index.intrinsic | 210 |
| abstract_inverted_index.oxidation | 34, 216 |
| abstract_inverted_index.particles | 16, 128 |
| abstract_inverted_index.reaction. | 171 |
| abstract_inverted_index.transport | 168 |
| abstract_inverted_index.considered | 131 |
| abstract_inverted_index.difference | 173 |
| abstract_inverted_index.dimensions | 204 |
| abstract_inverted_index.distribute | 23 |
| abstract_inverted_index.exothermic | 7 |
| abstract_inverted_index.formation, | 151 |
| abstract_inverted_index.increasing | 156 |
| abstract_inverted_index.industrial | 44, 72, 200 |
| abstract_inverted_index.limitation | 230 |
| abstract_inverted_index.production | 78 |
| abstract_inverted_index.reactions, | 8 |
| abstract_inverted_index.relevance, | 45 |
| abstract_inverted_index.resolution | 119 |
| abstract_inverted_index.simulation | 111 |
| abstract_inverted_index.(Δ<i>T</i> | 223 |
| abstract_inverted_index.conversion, | 149 |
| abstract_inverted_index.distributed | 92 |
| abstract_inverted_index.investigate | 81 |
| abstract_inverted_index.overheating | 154, 222 |
| abstract_inverted_index.performance | 89 |
| abstract_inverted_index.quantities, | 93 |
| abstract_inverted_index.significant | 145 |
| abstract_inverted_index.simulations | 61 |
| abstract_inverted_index.temperature | 97, 178 |
| abstract_inverted_index.arrangements | 183 |
| abstract_inverted_index.conductivity | 160 |
| abstract_inverted_index.demonstrates | 192 |
| abstract_inverted_index.formaldehyde | 38, 77 |
| abstract_inverted_index.measurements | 212 |
| abstract_inverted_index.computational | 57 |
| abstract_inverted_index.distributions | 142 |
| abstract_inverted_index.effectiveness | 100 |
| abstract_inverted_index.homogeneously | 27 |
| abstract_inverted_index.implementation | 135 |
| abstract_inverted_index.systematically | 80 |
| abstract_inverted_index.particle-resolved | 56 |
| abstract_inverted_index.(η<sub><i>i</i>,FA</sub> | 231 |
| cited_by_percentile_year | |
| countries_distinct_count | 0 |
| institutions_distinct_count | 2 |
| citation_normalized_percentile.value | 0.77042576 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |