Coupling particle scale model and <scp>SuperDEM‐CFD</scp> for multiscale simulation of biomass pyrolysis in a packed bed pyrolyzer

Gao, Xi; Yu, Jia; Rogers, William A.

doi:10.1002/aic.17139

Cited by 46 publications

(24 citation statements)

References 41 publications

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“…In the latter configuration, for the laminar flow regime of supercritical fluid, the influence of flow velocity, direction, and density gradient over heat transfer was analyzed. 219 Gao et al 220 developed a multiscale computational approach to study biomass pyrolysis in a packed bed reactor via coupled integration of the reaction kinetics, particle scale model, and super quadric DEM-CFD model using open source code MFiX. The single particle model and coupled model were compared with particle pyrolysis and packed bed experiments, and the models fairly reproduced the experimental results.…”

Section: Modeling Approaches To the Pyrolysismentioning

confidence: 99%

Recent Modeling Approaches to Biomass Pyrolysis: A Review

2021

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Biomass pyrolysis is a thermochemical conversion process that undergoes a complex set of concurrent and competitive reactions in oxygen-depleted conditions. A considerable amount of the literature uses lumped kinetic approaches to predict pyrolysis products. Despite the prolonged studies, the science of pyrolysis chemistry and models’ capability to simulate the exact conversion phenomenon has unraveled yet. In this review, an initiative was made by compiling existing mathematical models for biomass pyrolysis viz., lumped and distributed kinetic models, particle, and reactor models. An absolute analysis of computational fluid dynamics (CFD), artificial neural network (ANN), and ASPEN Plus models was also conducted. It was observed that the coupling of distributed kinetic models with CFD provides a better understanding of the hydrodynamic reaction of particles under reactive flow with the influence on reactor performance and predicts exact product yield. Furthermore, the pros and cons of each modeling technique are also highlighted individually. Finally, considering the future perspective of biomass pyrolysis with respect to the modeling approach, suggestions have been incorporated.

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Section: Modeling Approaches To the Pyrolysismentioning

confidence: 99%

Recent Modeling Approaches to Biomass Pyrolysis: A Review

2021

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“…In the case of the one-pot approach, mesoscale and reactor-scale models are resolved simultaneously, yielding more realistic process simulation. Gao et al 155 developed a multiscale simulation framework by coupling a 1-D particle-scale model and a shape-resolved SuperDEM-CFD model for a lab-scale biomass pyrolyzer simulation. Later, Gao et al 153 applied the multiscale model for a pilot-scale biomass pyrolyzer by integrating detailed pyrolysis kinetics, a 1-D particle-scale model, and a multiphase particle in cell (MPPIC) reactor model (Figure 7).…”

Section: ■ Mesoscale Modeling Methodsmentioning

confidence: 99%

“…In the case of the one-pot approach, mesoscale and reactor-scale models are resolved simultaneously, yielding more realistic process simulation. Gao et al developed a multiscale simulation framework by coupling a 1-D particle-scale model and a shape-resolved SuperDEM-CFD model for a lab-scale biomass pyrolyzer simulation. Later, Gao et al .…”

Section: Mesoscale Modeling Methodsmentioning

confidence: 99%

Bridging Scales in Bioenergy and Catalysis: A Review of Mesoscale Modeling Applications, Methods, and Future Directions

et al. 2021

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Between the molecular and reactor scales, which are familiar to the chemical engineering community, lies an intermediate regime, here termed the “mesoscale,” where transport phenomena and reaction kinetics compete on similar time scales. Bioenergy and catalytic processes offer particularly important examples of mesoscale phenomena owing to their multiphase nature and the complex, highly variable porosity characteristic of biomass and many structured catalysts. In this review, we overview applications and methods central to mesoscale modeling as they apply to reaction engineering of biomass conversion and catalytic processing. A brief historical perspective is offered to put recent advances in context. Applications of mesoscale modeling are described, and several specific examples from biomass pyrolysis and catalytic upgrading of bioderived intermediates are highlighted. Methods including reduced order modeling, finite element and finite volume approaches, geometry construction and import, and visualization of simulation results are described; in each category, recent advances, current limitations, and areas for future development are presented. Owing to improved access to high-performance computational resources, advances in algorithm development, and sustained interest in reaction engineering to sustainably meet societal needs, we conclude that a significant upsurge in mesoscale modeling capabilities is on the horizon that will accelerate design, deployment, and optimization of new bioenergy and catalytic technologies.

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“…Some studies [28] reported simulations by coupling a one-dimensional particle model with a reactor model for biomass pyrolysis. Gao et al [29] developed a multiscale model by integrating a simple biomass pyrolysis kinetics, a particlescale model, and a shape-resolved SuperDEM-CFD model [30,31] for biomass pyrolyzer simulation. However, a multiscale simulation by integrating a detailed kinetics mechanism, a particle-scale model, and a reactor model was seldom reported in the literature.…”

Section: Introductionmentioning

confidence: 99%