CFD-DNS simulation of irregular-shaped particle dissolution

Research output: Contribution to journalArticlepeer-review

Standard

CFD-DNS simulation of irregular-shaped particle dissolution. / Cao, Hui; Jia, Xiaodong; Li, Yongliang; Amador, Carlos; Ding, Yulong.

In: Particuology, Vol. 50, 06.2020, p. 144-155.

Research output: Contribution to journalArticlepeer-review

Harvard

APA

Vancouver

Author

Bibtex

@article{a617ef5af3f64cd1bafd590a4788b42e,
title = "CFD-DNS simulation of irregular-shaped particle dissolution",
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.",
keywords = "Computational fluid dynamics, Direct numerical simulation, Single particle dissolution, X-ray micro-tomography",
author = "Hui Cao and Xiaodong Jia and Yongliang Li and Carlos Amador and Yulong Ding",
year = "2020",
month = jun,
doi = "10.1016/j.partic.2019.08.003",
language = "English",
volume = "50",
pages = "144--155",
journal = "Particuology",
issn = "1674-2001",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - CFD-DNS simulation of irregular-shaped particle dissolution

AU - Cao, Hui

AU - Jia, Xiaodong

AU - Li, Yongliang

AU - Amador, Carlos

AU - Ding, Yulong

PY - 2020/6

Y1 - 2020/6

N2 - 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.

AB - 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.

KW - Computational fluid dynamics

KW - Direct numerical simulation

KW - Single particle dissolution

KW - X-ray micro-tomography

UR - http://www.scopus.com/inward/record.url?scp=85074340615&partnerID=8YFLogxK

U2 - 10.1016/j.partic.2019.08.003

DO - 10.1016/j.partic.2019.08.003

M3 - Article

AN - SCOPUS:85074340615

VL - 50

SP - 144

EP - 155

JO - Particuology

JF - Particuology

SN - 1674-2001

ER -