Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Simpson, Matthew J., Morrow, Liam C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society Publishing 2015
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
_version_ 1782374438041288704
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