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Experimental validation of convection-diffusion discretisation scheme employed for computational modelling of biological mass transport

BACKGROUND: The finite volume solver Fluent (Lebanon, NH, USA) is a computational fluid dynamics software employed to analyse biological mass-transport in the vasculature. A principal consideration for computational modelling of blood-side mass-transport is convection-diffusion discretisation scheme...

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Autores principales: Carroll, Gráinne T, Devereux, Paul D, Ku, David N, McGloughlin, Timothy M, Walsh, Michael T
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2918622/
https://www.ncbi.nlm.nih.gov/pubmed/20642816
http://dx.doi.org/10.1186/1475-925X-9-34
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author Carroll, Gráinne T
Devereux, Paul D
Ku, David N
McGloughlin, Timothy M
Walsh, Michael T
author_facet Carroll, Gráinne T
Devereux, Paul D
Ku, David N
McGloughlin, Timothy M
Walsh, Michael T
author_sort Carroll, Gráinne T
collection PubMed
description BACKGROUND: The finite volume solver Fluent (Lebanon, NH, USA) is a computational fluid dynamics software employed to analyse biological mass-transport in the vasculature. A principal consideration for computational modelling of blood-side mass-transport is convection-diffusion discretisation scheme selection. Due to numerous discretisation schemes available when developing a mass-transport numerical model, the results obtained should either be validated against benchmark theoretical solutions or experimentally obtained results. METHODS: An idealised aneurysm model was selected for the experimental and computational mass-transport analysis of species concentration due to its well-defined recirculation region within the aneurysmal sac, allowing species concentration to vary slowly with time. The experimental results were obtained from fluid samples extracted from a glass aneurysm model, using the direct spectrophometric concentration measurement technique. The computational analysis was conducted using the four convection-diffusion discretisation schemes available to the Fluent user, including the First-Order Upwind, the Power Law, the Second-Order Upwind and the Quadratic Upstream Interpolation for Convective Kinetics (QUICK) schemes. The fluid has a diffusivity of 3.125 × 10(-10 )m(2)/s in water, resulting in a Peclet number of 2,560,000, indicating strongly convection-dominated flow. RESULTS: The discretisation scheme applied to the solution of the convection-diffusion equation, for blood-side mass-transport within the vasculature, has a significant influence on the resultant species concentration field. The First-Order Upwind and the Power Law schemes produce similar results. The Second-Order Upwind and QUICK schemes also correlate well but differ considerably from the concentration contour plots of the First-Order Upwind and Power Law schemes. The computational results were then compared to the experimental findings. An average error of 140% and 116% was demonstrated between the experimental results and those obtained from the First-Order Upwind and Power Law schemes, respectively. However, both the Second-Order upwind and QUICK schemes accurately predict species concentration under high Peclet number, convection-dominated flow conditions. CONCLUSION: Convection-diffusion discretisation scheme selection has a strong influence on resultant species concentration fields, as determined by CFD. Furthermore, either the Second-Order or QUICK discretisation schemes should be implemented when numerically modelling convection-dominated mass-transport conditions. Finally, care should be taken not to utilize computationally inexpensive discretisation schemes at the cost of accuracy in resultant species concentration.
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spelling pubmed-29186222010-08-11 Experimental validation of convection-diffusion discretisation scheme employed for computational modelling of biological mass transport Carroll, Gráinne T Devereux, Paul D Ku, David N McGloughlin, Timothy M Walsh, Michael T Biomed Eng Online Research BACKGROUND: The finite volume solver Fluent (Lebanon, NH, USA) is a computational fluid dynamics software employed to analyse biological mass-transport in the vasculature. A principal consideration for computational modelling of blood-side mass-transport is convection-diffusion discretisation scheme selection. Due to numerous discretisation schemes available when developing a mass-transport numerical model, the results obtained should either be validated against benchmark theoretical solutions or experimentally obtained results. METHODS: An idealised aneurysm model was selected for the experimental and computational mass-transport analysis of species concentration due to its well-defined recirculation region within the aneurysmal sac, allowing species concentration to vary slowly with time. The experimental results were obtained from fluid samples extracted from a glass aneurysm model, using the direct spectrophometric concentration measurement technique. The computational analysis was conducted using the four convection-diffusion discretisation schemes available to the Fluent user, including the First-Order Upwind, the Power Law, the Second-Order Upwind and the Quadratic Upstream Interpolation for Convective Kinetics (QUICK) schemes. The fluid has a diffusivity of 3.125 × 10(-10 )m(2)/s in water, resulting in a Peclet number of 2,560,000, indicating strongly convection-dominated flow. RESULTS: The discretisation scheme applied to the solution of the convection-diffusion equation, for blood-side mass-transport within the vasculature, has a significant influence on the resultant species concentration field. The First-Order Upwind and the Power Law schemes produce similar results. The Second-Order Upwind and QUICK schemes also correlate well but differ considerably from the concentration contour plots of the First-Order Upwind and Power Law schemes. The computational results were then compared to the experimental findings. An average error of 140% and 116% was demonstrated between the experimental results and those obtained from the First-Order Upwind and Power Law schemes, respectively. However, both the Second-Order upwind and QUICK schemes accurately predict species concentration under high Peclet number, convection-dominated flow conditions. CONCLUSION: Convection-diffusion discretisation scheme selection has a strong influence on resultant species concentration fields, as determined by CFD. Furthermore, either the Second-Order or QUICK discretisation schemes should be implemented when numerically modelling convection-dominated mass-transport conditions. Finally, care should be taken not to utilize computationally inexpensive discretisation schemes at the cost of accuracy in resultant species concentration. BioMed Central 2010-07-19 /pmc/articles/PMC2918622/ /pubmed/20642816 http://dx.doi.org/10.1186/1475-925X-9-34 Text en Copyright ©2010 Carroll et al; licensee BioMed Central Ltd. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research
Carroll, Gráinne T
Devereux, Paul D
Ku, David N
McGloughlin, Timothy M
Walsh, Michael T
Experimental validation of convection-diffusion discretisation scheme employed for computational modelling of biological mass transport
title Experimental validation of convection-diffusion discretisation scheme employed for computational modelling of biological mass transport
title_full Experimental validation of convection-diffusion discretisation scheme employed for computational modelling of biological mass transport
title_fullStr Experimental validation of convection-diffusion discretisation scheme employed for computational modelling of biological mass transport
title_full_unstemmed Experimental validation of convection-diffusion discretisation scheme employed for computational modelling of biological mass transport
title_short Experimental validation of convection-diffusion discretisation scheme employed for computational modelling of biological mass transport
title_sort experimental validation of convection-diffusion discretisation scheme employed for computational modelling of biological mass transport
topic Research
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2918622/
https://www.ncbi.nlm.nih.gov/pubmed/20642816
http://dx.doi.org/10.1186/1475-925X-9-34
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