Investigating dry reforming of methane with spatial reactor profiles and particle‐resolved CFD simulations

Wehinger, Gregor D.; Kraume, Matthias; Berg, Viktor; Korup, Oliver; Mette, Katharina; Schlögl, Robert; Behrens, Malte; Horn, Raimund

doi:10.1002/aic.15520

Cited by 79 publications

(48 citation statements)

References 53 publications

(69 reference statements)

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…ρ products ρ reactants (25) As illustrated in Figure 9, this simple adjustment to the intraparticle mass transfer model successfully captures the effect of gas volume generation/consumption over all the cases considered. Table 3.…”

Section: Reactionsmentioning

confidence: 96%

Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations

et al. 2018

View full text Add to dashboard Cite

Particle-resolved direct numerical simulation (PR-DNS) is known to provide an accurate detailed insight into the local flow phenomena in static particle arrays. Most PR-DNS studies in literature do not account for reactions taking place inside the porous particles. In this study, PR-DNS is performed for catalytic reactions inside the particles using the multifluid approach where all heat and mass transfer phenomena are directly resolved both inside and outside the particles. These simulation results are then used to verify existing 1D model closures from literature over a number of different reaction parameters including different reaction orders, multiple reactions and reactants, interacting reactions, and reactions involving gas volume generation/consumption inside the particle. Results clearly showed that several modifications to existing 1D model closures are required to reproduce PR-DNS results. The resulting enhanced 1D model was then used to accurately simulate steam methane reforming, which includes all of the aforementioned reaction complexities. The effect of multiple reactants was found to be the most influential in this case.

show abstract

Section: Reactionsmentioning

confidence: 96%

Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations

et al. 2018

View full text Add to dashboard Cite

show abstract

“…Hier muss neben dem Transport in der Gasphase auch der Wärmeübergang zwischen Gasphase und Feststoff und Wärmeleitung berücksichtigt werden. Die vorgestellten Ergebnisse sind Wehinger et al entnommen.…”

Section: Ergebnisse Und Diskussionunclassified

CFD as a Design Tool for Fixed‐Bed Reactors with Small Tube‐to‐Pellet Diameter Ratio: Now or in the Future?

Wehinger

Kraume

2017

Chemie Ingenieur Technik

Self Cite

View full text Add to dashboard Cite

Festbettreaktoren mit kleinem Rohr-zu-Pelletdurchmesser-Verhältnis (D/d p = N) finden vor allem bei stark exo-oder endothermen Reaktionen Anwendung. In diesem Beitrag werden Aspekte eines Algorithmus-basierten Ansatzes untersucht, der Festbetten mit kleinem N ortsaufgelöst modelliert. Dabei wird das Modell hinsichtlich Bettmorphologie und den daraus resultierenden Geschwindigkeiten, Wärmetransport sowie heterogener Katalyse mit experimentellen Daten verglichen. Schlussendlich wird der Frage nachgegangen, in wie weit CFD als Designtool für Festbettreaktoren mit kleinem N verwendet werden kann.Fixed-bed reactors with small ratio of tube to pellet diameter (D/d p =N) are applied especially for highly exothermic or endothermic reactions. In this contribution, aspects of an algorithm-based approach are investigated, which models spatially resolved fixed-bed reactors with small N. This approach is compared with experimental data in terms of bed morphology, resulting velocities, heat transfer, and heterogeneous catalysis. Finally, the question is discussed whether CFD can be applied as a design tool for small N fixed-bed reactors.

show abstract

“…A later extension used in situ adaptive tabulation for isothermal steam methane reforming microkinetics in a bed of 25 spheres . Wehinger et al simulated dry reforming of methane using microkinetic models in a series of publications, in which low‐N beds of approximately 120 spheres, cylinders, and rings were simulated, and in a 45° slice of a large‐N bed of several hundred spheres . Intraparticle heat transfer was included in these simulations, with reaction on the particle external surfaces.…”

Section: Introductionmentioning

confidence: 99%

n‐butane partial oxidation in a fixed bed: A resolved particle computational fluid dynamics simulation

Partopour

Dixon

2018

Can J Chem Eng

View full text Add to dashboard Cite

Maleic anhydride (MA) is an important chemical intermediate, which is mainly produced by the highly exothermic partial oxidation of n-butane in fixed bed reactors. Production of maleic anhydride is limited by problems of temperature control and loss of selectivity. Here we present threedimensional resolved-particle computational fluid dynamics (CFD) simulations of n-butane partial oxidation in a randomly packed bed of 807 spherical catalyst particles. We used a semi-empirical two-site surface mechanism from the literature and obtained distributions of temperature, gas phase species, and surface species in the bed. The local selectivity patterns are strongly controlled by the changes in the gas phase flow field, the temperature in the fixed bed, and the weakly adsorbed oxygen surface coverage fraction (l O ) profiles inside the particles. Most of the selectivity loss due to product combustion happens in the interior of the catalyst particles, as opposed to the production of MA, which is mainly in the near-surface layers. We observed loss of selectivity and yield in the centre of the bed at increased bed depths, because of the temperature increase and decrease in gas phase oxygen there. The simulations show sharp l O gradients inside the particles. Near the cooled tube wall l O is strongly affected by the temperature, while at the bed centre gas phase oxygen diffusion limitations contribute to a depleted oxygen surface resulting in lower selectivity.

show abstract

Investigating dry reforming of methane with spatial reactor profiles and particle‐resolved CFD simulations

Cited by 79 publications

References 53 publications

Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations

Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations

CFD as a Design Tool for Fixed‐Bed Reactors with Small Tube‐to‐Pellet Diameter Ratio: Now or in the Future?

n‐butane partial oxidation in a fixed bed: A resolved particle computational fluid dynamics simulation

Contact Info

Product

Resources

About