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Analytical model of reactive transport processes with spatially variable coefficients
Analytical solutions of partial differential equation (PDE) models describing reactive transport phenomena in saturated porous media are often used as screening tools to provide insight into contaminant fate and transport processes. While many practical modelling scenarios involve spatially variable...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society Publishing
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4453259/ https://www.ncbi.nlm.nih.gov/pubmed/26064648 http://dx.doi.org/10.1098/rsos.140348 |
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author | Simpson, Matthew J. Morrow, Liam C. |
author_facet | Simpson, Matthew J. Morrow, Liam C. |
author_sort | Simpson, Matthew J. |
collection | PubMed |
description | Analytical solutions of partial differential equation (PDE) models describing reactive transport phenomena in saturated porous media are often used as screening tools to provide insight into contaminant fate and transport processes. While many practical modelling scenarios involve spatially variable coefficients, such as spatially variable flow velocity, v(x), or spatially variable decay rate, k(x), most analytical models deal with constant coefficients. Here we present a framework for constructing exact solutions of PDE models of reactive transport. Our approach is relevant for advection-dominant problems, and is based on a regular perturbation technique. We present a description of the solution technique for a range of one-dimensional scenarios involving constant and variable coefficients, and we show that the solutions compare well with numerical approximations. Our general approach applies to a range of initial conditions and various forms of v(x) and k(x). Instead of simply documenting specific solutions for particular cases, we present a symbolic worksheet, as supplementary material, which enables the solution to be evaluated for different choices of the initial condition, v(x) and k(x). We also discuss how the technique generalizes to apply to models of coupled multispecies reactive transport as well as higher dimensional problems. |
format | Online Article Text |
id | pubmed-4453259 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | The Royal Society Publishing |
record_format | MEDLINE/PubMed |
spelling | pubmed-44532592015-06-10 Analytical model of reactive transport processes with spatially variable coefficients Simpson, Matthew J. Morrow, Liam C. R Soc Open Sci Engineering Analytical solutions of partial differential equation (PDE) models describing reactive transport phenomena in saturated porous media are often used as screening tools to provide insight into contaminant fate and transport processes. While many practical modelling scenarios involve spatially variable coefficients, such as spatially variable flow velocity, v(x), or spatially variable decay rate, k(x), most analytical models deal with constant coefficients. Here we present a framework for constructing exact solutions of PDE models of reactive transport. Our approach is relevant for advection-dominant problems, and is based on a regular perturbation technique. We present a description of the solution technique for a range of one-dimensional scenarios involving constant and variable coefficients, and we show that the solutions compare well with numerical approximations. Our general approach applies to a range of initial conditions and various forms of v(x) and k(x). Instead of simply documenting specific solutions for particular cases, we present a symbolic worksheet, as supplementary material, which enables the solution to be evaluated for different choices of the initial condition, v(x) and k(x). We also discuss how the technique generalizes to apply to models of coupled multispecies reactive transport as well as higher dimensional problems. The Royal Society Publishing 2015-05-20 /pmc/articles/PMC4453259/ /pubmed/26064648 http://dx.doi.org/10.1098/rsos.140348 Text en http://creativecommons.org/licenses/by/4.0/ © 2015 The Authors. Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/, which permits unrestricted use, provided the original author and source are credited. |
spellingShingle | Engineering Simpson, Matthew J. Morrow, Liam C. Analytical model of reactive transport processes with spatially variable coefficients |
title | Analytical model of reactive transport processes with spatially variable coefficients |
title_full | Analytical model of reactive transport processes with spatially variable coefficients |
title_fullStr | Analytical model of reactive transport processes with spatially variable coefficients |
title_full_unstemmed | Analytical model of reactive transport processes with spatially variable coefficients |
title_short | Analytical model of reactive transport processes with spatially variable coefficients |
title_sort | analytical model of reactive transport processes with spatially variable coefficients |
topic | Engineering |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4453259/ https://www.ncbi.nlm.nih.gov/pubmed/26064648 http://dx.doi.org/10.1098/rsos.140348 |
work_keys_str_mv | AT simpsonmatthewj analyticalmodelofreactivetransportprocesseswithspatiallyvariablecoefficients AT morrowliamc analyticalmodelofreactivetransportprocesseswithspatiallyvariablecoefficients |