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Reactive transport of chemicals in unsaturated soils: numerical model development and verification

Majid Sedighi, Hywel Thomas Orcid Logo, Philip J. Vardon

Canadian Geotechnical Journal, Volume: 53, Issue: 1, Pages: 162 - 172

Swansea University Author: Hywel Thomas Orcid Logo

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DOI (Published version): 10.1139/cgj-2014-0436

Abstract

This paper presents the development of a numerical model for reactive transport of multicomponent chemicals in unsaturated soils. The model has been developed based on a coupled thermal, hydraulic, chemical, and mechanical (THCM) formulation, and extended by the inclusion of geochemical processes un...

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Published in: Canadian Geotechnical Journal
ISSN: 0008-3674 1208-6010
Published: Canadian Science Publishing 2016
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URI: https://cronfa.swan.ac.uk/Record/cronfa52878
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first_indexed 2019-11-26T13:15:41Z
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spelling 2019-11-26T10:38:28.6353106 v2 52878 2019-11-26 Reactive transport of chemicals in unsaturated soils: numerical model development and verification 08ebc76b093f3e17fed29281f5cb637e 0000-0002-3951-0409 Hywel Thomas Hywel Thomas true false 2019-11-26 CIVL This paper presents the development of a numerical model for reactive transport of multicomponent chemicals in unsaturated soils. The model has been developed based on a coupled thermal, hydraulic, chemical, and mechanical (THCM) formulation, and extended by the inclusion of geochemical processes under mixed equilibrium and kinetically controlled reactions in–between the solid, aqueous, and gas phases in soil. This has been achieved by coupling the transport model, COMPASS, with the geochemical model, PHREEQC. Key coupling between the geochemical modelling and the flow of chemicals has been established via the inclusion of porosity modification from mineral precipitation–dissolution reactions and the consequential effects on flow processes. Verification of the developed model is addressed via a series of benchmark simulations with a focus on testing the coupling between the transport model and geochemical model. Good results have been achieved for the verification of the theoretical and numerical implementation of the new developments in the model. A simulation is presented to demonstrate the effects of mineral reactions on porosity evolution and chemical diffusion in a low porosity soil. The model developed is an advanced tool for studying the hydrogeochemical processes in unsaturated soils under variable THCM conditions. © 2015, National Research Council of Canada. All rights reserved. Journal Article Canadian Geotechnical Journal 53 1 162 172 Canadian Science Publishing 0008-3674 1208-6010 1 1 2016 2016-01-01 10.1139/cgj-2014-0436 http://dx.doi.org/10.1139/cgj-2014-0436 COLLEGE NANME Civil Engineering COLLEGE CODE CIVL Swansea University 2019-11-26T10:38:28.6353106 2019-11-26T10:38:28.6353106 Majid Sedighi 1 Hywel Thomas 0000-0002-3951-0409 2 Philip J. Vardon 3
title Reactive transport of chemicals in unsaturated soils: numerical model development and verification
spellingShingle Reactive transport of chemicals in unsaturated soils: numerical model development and verification
Hywel Thomas
title_short Reactive transport of chemicals in unsaturated soils: numerical model development and verification
title_full Reactive transport of chemicals in unsaturated soils: numerical model development and verification
title_fullStr Reactive transport of chemicals in unsaturated soils: numerical model development and verification
title_full_unstemmed Reactive transport of chemicals in unsaturated soils: numerical model development and verification
title_sort Reactive transport of chemicals in unsaturated soils: numerical model development and verification
author_id_str_mv 08ebc76b093f3e17fed29281f5cb637e
author_id_fullname_str_mv 08ebc76b093f3e17fed29281f5cb637e_***_Hywel Thomas
author Hywel Thomas
author2 Majid Sedighi
Hywel Thomas
Philip J. Vardon
format Journal article
container_title Canadian Geotechnical Journal
container_volume 53
container_issue 1
container_start_page 162
publishDate 2016
institution Swansea University
issn 0008-3674
1208-6010
doi_str_mv 10.1139/cgj-2014-0436
publisher Canadian Science Publishing
url http://dx.doi.org/10.1139/cgj-2014-0436
document_store_str 0
active_str 0
description This paper presents the development of a numerical model for reactive transport of multicomponent chemicals in unsaturated soils. The model has been developed based on a coupled thermal, hydraulic, chemical, and mechanical (THCM) formulation, and extended by the inclusion of geochemical processes under mixed equilibrium and kinetically controlled reactions in–between the solid, aqueous, and gas phases in soil. This has been achieved by coupling the transport model, COMPASS, with the geochemical model, PHREEQC. Key coupling between the geochemical modelling and the flow of chemicals has been established via the inclusion of porosity modification from mineral precipitation–dissolution reactions and the consequential effects on flow processes. Verification of the developed model is addressed via a series of benchmark simulations with a focus on testing the coupling between the transport model and geochemical model. Good results have been achieved for the verification of the theoretical and numerical implementation of the new developments in the model. A simulation is presented to demonstrate the effects of mineral reactions on porosity evolution and chemical diffusion in a low porosity soil. The model developed is an advanced tool for studying the hydrogeochemical processes in unsaturated soils under variable THCM conditions. © 2015, National Research Council of Canada. All rights reserved.
published_date 2016-01-01T04:05:31Z
_version_ 1763753413742428160
score 11.037056

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