Computational fluid dynamics study of the atomic layer deposition process around cylindrical and planar configurations

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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

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en

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13

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Chemical Engineering Science, Volume 277

Abstract

Computational fluid dynamics (CFD) simulations were used to model atomic layer deposition (ALD) coating processes in the continuum flow regime. CFD model was validated for non-reactive and reactive flows. In ALD CFD simulations, surfaces in various test cases were considered as non-porous aluminum oxide. The effect of trimethylaluminium precursor partial pressure, initial condition, and Reynolds number (Re) on coating timescale were analyzed. The CFD model accurately captured the surface coverage solution for all cases when the domain was initially filled with the precursor. The absence of initial precursor delayed coating time during the surface concentration level development process. As Re increased, coating time significantly decreased due to reduced diffusion limitations and promoted convection swiftly transporting precursors to the surfaces. The provided example showed that 2D polydisperse fixed cylinder bed is fully coated within approximately one flow time through the bed. The benefits of CFD in understanding ALD processes were discussed.

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Funding Information: The authors acknowledge to the Academy of Finland for the support of this research through ALDI project Grant Nos. 331082 and 333069 . The authors are grateful for the use of the computer facilities within the Aalto University School of Science “Science-IT” project. The authors acknowledge CSC – IT Center for Science, Finland, for computational resources. Funding Information: The authors acknowledge to the Academy of Finland for the support of this research through ALDI project Grant Nos. 331082 and 333069. The authors are grateful for the use of the computer facilities within the Aalto University School of Science “Science-IT” project. The authors acknowledge CSC – IT Center for Science, Finland, for computational resources. Publisher Copyright: © 2023 The Author(s)

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Ersavas Isitman, G, Izbassarov, D, Puurunen, R L & Vuorinen, V 2023, 'Computational fluid dynamics study of the atomic layer deposition process around cylindrical and planar configurations', Chemical Engineering Science, vol. 277, 118862. https://doi.org/10.1016/j.ces.2023.118862