Analysis of mesoscale effects in high-shear granulation through a computational fluid dynamics–population balance coupled compartment model--颗粒学报PARTICUOLOGY

Abrahamsson, P. J., Kvist, P., Reynolds, G., Yu, X., Niklasson Björn, I., Hounslow, M. J., & Rasmuson, A. (2018). Analysis of mesoscale effects in high-shear granulation through a computational fluid dynamics–population balance coupled compartment model. Particuology, 36, 1-12. https://doi.org/10.1016/j.partic.2017.01.008

Analysis of mesoscale effects in high-shear granulation through a computational fluid dynamics–population balance coupled compartment model

P.J. Abrahamsson ^a, P. Kvist ^a, G. Reynolds ^b, X. Yu c, I. Niklasson Björn ^d, M.J. Hounslow e, A. Rasmuson ^a *

a Department of Chemical and Biological Engineering, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden
b Pharmaceutical Development, AstraZeneca, Macclesfield SK10 2NA, UK
c European Bioenergy Research Institute (EBRI), School of Engineering and Applied Science, Aston University, Birmingham B4 7ET, UK
d AstraZeneca Pharmaceutical and Analytical R&D, Mölndal, SE-431 83 Mölndal, Sweden
e Department of Chemical and Biological Engineering, University of Sheffield, Sheffield S1 3JD, UK

10.1016/j.partic.2017.01.008

Volume 36, February 2018, Pages 1-12

Received 23 August 2016, Revised 21 November 2016, Accepted 10 January 2017, Available online 20 June 2017, Version of Record 22 December 2017.

E-mail: rasmuson@chalmers.se

Highlights

• A CFD–PBM compartment modelling framework was developed for use in high-shear-granulation.

• The coupled CFD–PBM model was used to analyze mesoscale effects in time and space.

• The discretization was based on process variables from the CFD simulation.

• The results showed the importance of resolving the impeller region.

• The results showed the importance of a temporal resolution of the kernel information.

Abstract

There is a need for mesoscale resolution and coupling between flow-field information and the evolution of particle properties in high-shear granulation. We have developed a modelling framework that compartmentalizes the high-shear granulation process based on relevant process parameters in time and space. The model comprises a coupled-flow-field and population-balance solver and is used to resolve and analyze the effects of mesoscales on the evolution of particle properties. A Diosna high-shear mixer was modelled with microcrystalline cellulose powder as the granulation material. An analysis of the flow-field solution and compartmentalization allows for a resolution of the stress and collision peak at the impeller blades. Different compartmentalizations showed the importance of resolving the impeller region, for aggregating systems and systems with breakage. An independent study investigated the time evolution of the flow field by changing the particle properties in three discrete steps that represent powder mixing, the initial granulation stage mixing and the late stage granular mixing. The results of the temporal resolution study show clear changes in collision behavior, especially from powder to granular mixing, which indicates the importance of resolving mesoscale phenomena in time and space.

Graphical abstract

Keywords

High-shear wet granulation; Population-balance model; Compartment model; Computational fluid dynamics

文章导读