Modeling of silica synthesis in a laminar flame by coupling an extended population balance model with computational fluid dynamics
Author(s)
Tsagkaridis, Malamas
Rigopoulos, Stelios
Papadakis, George
Type
Journal Article
Abstract
In the present study, we propose a novel extended population balance equation (PBE) model for aggregation and sintering and couple it with computational fluid dynamics (CFD) to investigate synthesis of silica nanoparticles in a laminar diffusion flame. The extended PBE includes finite-rate sintering of primary particles by solving the PBE together with a transport equation for the number concentration of primary particles. In the process simulated, the particles are formed via the oxidation of a vapor precursor, hexamethyldisiloxane (HMDSO), and the aerosol processes include nucleation, condensation, aggregation and sintering. The model is validated with detailed experimental in-situ SAXS data found in the literature and is also compared with a monodisperse and a two-PBE approach. Good agreement is found between the extended one-PBE and two-PBE models, while both of them provide a substantial improvement over the monodisperse one. Furthermore, the coupled CFD-PBE simulation with the extended one-PBE model reduces substantially the computational time as compared with the two-PBE model and requires less than twice the time needed for the monodisperse model. Excellent agreement is found between numerical predictions and experimental data for temperature along the centerline and reasonably good agreement is found between numerical predictions and SAXS data for primary particle diameters. While results for the particle number concentration are in qualitative agreement with the experimental data, the particle formation rate is overpredicted, leading to an overestimation of the number concentration of the primary particles. This is attributed to uncertainties in the experimental data and precursor decomposition kinetics.
Date Issued
2023-01-17
Date Acceptance
2022-12-13
Citation
Aerosol Science and Technology, 2023, 57 (4), pp.296-317
ISSN
0278-6826
Publisher
Taylor and Francis Group
Start Page
296
End Page
317
Journal / Book Title
Aerosol Science and Technology
Volume
57
Issue
4
Copyright Statement
© 2023 The Author(s). Published with license by Taylor & Francis Group, LLC.
This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
License URL
Identifier
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000918362500001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=a2bf6146997ec60c407a63945d4e92bb
Subjects
AEROSOL SYNTHESIS
COAGULATION
DIFFUSION
Engineering
Engineering, Chemical
Engineering, Mechanical
Environmental Sciences
Environmental Sciences & Ecology
EVOLUTION
GROWTH
Life Sciences & Biomedicine
LIGHT-SCATTERING
Mark Swihart
Meteorology & Atmospheric Sciences
NANOPARTICLE SYNTHESIS
NUCLEATION
PARTICLE-SIZE
Physical Sciences
Science & Technology
Technology
VAPOR-PHASE
Publication Status
Published
Date Publish Online
2023-01-17