Publication | Peer reviewed papers | Modellierung und Simulation
Comparison of single particle models: simplified layer model and detailed volumetric model for biomass, chemical looping and metal oxide conversion processes
Published 15 May 2024
Citation: Steiner T, Schulze K, Scharler R, Anca-Couce A. Comparison of single particle models: simplified layer model and detailed volumetric model for biomass, chemical looping and metal oxide conversion processes. Chemical Engineering Journal. 15 May 2024. 488:150993
Abstract
Various single particle models to describe the conversion of porous solids with gaseous reactants are available in the literature. It is, therefore, not obvious which models should be selected for specific problems and applications. This work focuses on two popular types of particle models: the volumetric model (VM) and the layer model (LM). Different variations of the layer model were considered: the standard layer model, which is similar to common shrinking core models, and an extended layer model, which solves inherent problems of the shrinking core approach by replacing surface reactions with volumetric reactions. For the first time, all these models were benchmarked together regarding prediction quality and computational cost for relevant applications: gasification and oxidation of biochar, reduction of nickel oxide and oxidation of magnetite. These cases covered a wide range of Thiele moduli and Biot numbers. The volumetric model reliably predicted the conversion for all cases considered. Its computational effort was, however, significantly higher than for the layer models. Suitable reactions kinetics in combination with heat of reaction and pore diameters were integral to prediction accuracy. Char oxidation, having a high Thiele modulus, could be described suitably by the standard layer model and the extended layer model, when it accounted for the residual ash layer. Char gasification and nickel oxide reduction had moderate Thiele moduli, rendering the standard layer model unsuitable in the general case. The extended layer model overcomes these limitations due to its volumetric reaction approach. All layer models showed inferior temperature predictions for biochar gasification and magnetite oxidation owing to their lower spatial resolution compared to the volumetric model. Additional, possible problems for layer models were addressed.