CFD-DNS simulation of irregular-shaped particle dissolution--颗粒学报PARTICUOLOGY

Cao, H., Jia, X., Li, Y., Amador, C., & Ding, Y. (2020). CFD-DNS simulation of irregular-shaped particle dissolution. Particuology, 50, 144-155. https://doi.org/10.1016/j.partic.2019.08.003

CFD-DNS simulation of irregular-shaped particle dissolution

Hui Cao ^a *, Xiaodong Jia ^b, Yongliang Li ^a, Carlos Amador ^c, Yulong Ding ^a

a School of Chemical Engineering, University of Birmingham, B15 2TT, United Kingdom
b School of Chemical and Process Engineering, University of Leeds, LS2 9JT, United Kingdom
c Proctor & Gamble Newcastle Innovation Centre, Newcastle Upon Tyne, NE12 9TS, United Kingdom

10.1016/j.partic.2019.08.003

Volume 50, June 2020, Pages 144-155

Received 6 February 2018, Revised 22 May 2019, Accepted 26 August 2019, Available online 24 October 2019, Version of Record 7 April 2020.

E-mail: h.cao@bham.ac.uk

Highlights

• Irregular shaped particle dissolution is simulated by coupling CFD and DNS.

• Simulation is assessed using experimental data and theoretical prediction.

• Comprehensive agreement has been achieved.

Abstract

A coupled approach between the conventional computational fluid dynamics platform COMSOL and an in-house-developed direct numerical simulation code DigiDiss is presented to study the dissolution kinetics of an irregular-shaped particle in a stirred cuvette. The complex flow dynamics from COMSOL were imported into DigiDiss as an initial flow condition. A digitised 3D particle structure scanned and reconstructed by X-ray micro-tomography was used in the dissolution simulation. A quantitative assessment of the simulation results was made using as a reference experimental data and a theoretical calculation based on the shrinking spherical model with different flow velocity profiles near the particle. The comprehensive agreement demonstrates the coherence of the simulation method in reproducing the experimental behaviour and is seen as a step closer towards developing a computer software design aide to help with formulation development.

Graphical abstract

Keywords

Single particle dissolution; Computational fluid dynamics; Direct numerical simulation; X-ray micro-tomography

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