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Estimation of the concentration boundary layer adjacent to a flat surface using computational fluid dynamics
Department of Pharmacy, Uppsala Biomedical Center, Uppsala University, 751 23 Uppsala, Sweden.
KTH, School of Engineering Sciences (SCI), Centres, Linné Flow Center, FLOW. KTH, School of Engineering Sciences (SCI), Engineering Mechanics, Fluid Mechanics and Engineering Acoustics.ORCID iD: 0000-0002-5409-8280
KTH, School of Engineering Sciences (SCI), Centres, Linné Flow Center, FLOW. KTH, School of Engineering Sciences (SCI), Engineering Mechanics, Fluid Mechanics and Engineering Acoustics.ORCID iD: 0000-0001-9976-8316
Department of Pharmacy, Uppsala Biomedical Center, Uppsala University, 751 23 Uppsala, Sweden.
2024 (English)In: International Journal of Pharmaceutics, ISSN 0378-5173, E-ISSN 1873-3476, Vol. 653, article id 123870Article in journal (Refereed) Published
Abstract [en]

Dissolution-permeation (D/P) experiments are widely used during preclinical development due to producing results with better predictability than traditional monophasic experiments. However, it is difficult to compare absorption across in vitro setups given the propensity to only report apparent permeability. We therefore developed an approach to predict the concentration boundary layer for any D/P device by using computational fluid dynamics (CFD). The Navier-Stokes and continuity equation in 2D were solved numerically in MATLAB and by finite element methods in COMSOL v6.1 to predict the momentum (ηf′) and concentration ηg boundary layer for a flow over a flat plate, i.e. the classical Blasius boundary layer flow. A MATLAB algorithm was developed to calculate the edge of either boundary layer. The methodology to determine the concentration boundary layer based on Blasius's analysis provided an accurate estimate for both ηf′ and ηg, resulting in, ηf′/ηg, at high Schmidt numbers (Sc ∼ 1000) within 14 % of the Blasius solution and 6.6 % of the accepted Schmidt number correlation (Sc1/3=ηf′/ηg). The methodology based on the Blasius analysis of the concentration boundary layer using velocity and concentration profiles computed using CFD presented herein will enable characterization/analysis of complex D/P apparatuses used in preclinical development, where an analytical solution may not be available.

Place, publisher, year, edition, pages
Elsevier BV , 2024. Vol. 653, article id 123870
Keywords [en]
Absorption, Aqueous boundary layer, Computational fluid dynamics, Concentration boundary layer, Dissolution, Permeation, Simulation
National Category
Pharmacology and Toxicology
Identifiers
URN: urn:nbn:se:kth:diva-344201DOI: 10.1016/j.ijpharm.2024.123870ISI: 001202183900001PubMedID: 38401511Scopus ID: 2-s2.0-85185933487OAI: oai:DiVA.org:kth-344201DiVA, id: diva2:1842921
Note

QC 20240307

Available from: 2024-03-06 Created: 2024-03-06 Last updated: 2024-04-29Bibliographically approved

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Parker, Louis P.Prahl Wittberg, Lisa

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