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Three-dimensional model for multi-component reactive transport with variable density groundwater flow

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Title: Three-dimensional model for multi-component reactive transport with variable density groundwater flow
Authors: Mao, X.1 x.mao@ed.ac.uk, Prommer, H.2 henning.prommer@csiro.au, Barry, D.A.1 a.barry@ed.ac.uk, Langevin, C.D.3 langevin@usgs.gov, Panteleit, B.4 b.panteleit@nlfb.de, Li, L.5,6 l.li@uq.edu.au
Source: Environmental Modelling & Software. May2006, Vol. 21 Issue 5, p615-628. 14p.
Subjects: Geochemical modeling, Groundwater flow, Plumes (Fluid dynamics), Fluid dynamics
Abstract: Abstract: PHWAT is a new model that couples a geochemical reaction model (PHREEQC-2) with a density-dependent groundwater flow and solute transport model (SEAWAT) using the split-operator approach. PHWAT was developed to simulate multi-component reactive transport in variable density groundwater flow. Fluid density in PHWAT depends not on only the concentration of a single species as in SEAWAT, but also the concentrations of other dissolved chemicals that can be subject to reactive processes. Simulation results of PHWAT and PHREEQC-2 were compared in their predictions of effluent concentration from a column experiment. Both models produced identical results, showing that PHWAT has correctly coupled the sub-packages. PHWAT was then applied to the simulation of a tank experiment in which seawater intrusion was accompanied by cation exchange. The density dependence of the intrusion and the snow-plough effect in the breakthrough curves were reflected in the model simulations, which were in good agreement with the measured breakthrough data. Comparison simulations that, in turn, excluded density effects and reactions allowed us to quantify the marked effect of ignoring these processes. Next, we explored numerical issues involved in the practical application of PHWAT using the example of a dense plume flowing into a tank containing fresh water. It was shown that PHWAT could model physically unstable flow and that numerical instabilities were suppressed. Physical instability developed in the model in accordance with the increase of the modified Rayleigh number for density-dependent flow, in agreement with previous research. [Copyright &y& Elsevier]
Copyright of Environmental Modelling & Software is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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Header DbId: egs
DbLabel: Engineering Source
An: 20527322
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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Items – Name: Title
  Label: Title
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  Data: Three-dimensional model for multi-component reactive transport with variable density groundwater flow
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  Data: <searchLink fieldCode="AR" term="%22Mao%2C+X%2E%22">Mao, X.</searchLink><relatesTo>1</relatesTo><i> x.mao@ed.ac.uk</i><br /><searchLink fieldCode="AR" term="%22Prommer%2C+H%2E%22">Prommer, H.</searchLink><relatesTo>2</relatesTo><i> henning.prommer@csiro.au</i><br /><searchLink fieldCode="AR" term="%22Barry%2C+D%2EA%2E%22">Barry, D.A.</searchLink><relatesTo>1</relatesTo><i> a.barry@ed.ac.uk</i><br /><searchLink fieldCode="AR" term="%22Langevin%2C+C%2ED%2E%22">Langevin, C.D.</searchLink><relatesTo>3</relatesTo><i> langevin@usgs.gov</i><br /><searchLink fieldCode="AR" term="%22Panteleit%2C+B%2E%22">Panteleit, B.</searchLink><relatesTo>4</relatesTo><i> b.panteleit@nlfb.de</i><br /><searchLink fieldCode="AR" term="%22Li%2C+L%2E%22">Li, L.</searchLink><relatesTo>5,6</relatesTo><i> l.li@uq.edu.au</i>
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  Data: <searchLink fieldCode="JN" term="%22Environmental+Modelling+%26+Software%22">Environmental Modelling & Software</searchLink>. May2006, Vol. 21 Issue 5, p615-628. 14p.
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  Data: <searchLink fieldCode="DE" term="%22Geochemical+modeling%22">Geochemical modeling</searchLink><br /><searchLink fieldCode="DE" term="%22Groundwater+flow%22">Groundwater flow</searchLink><br /><searchLink fieldCode="DE" term="%22Plumes+%28Fluid+dynamics%29%22">Plumes (Fluid dynamics)</searchLink><br /><searchLink fieldCode="DE" term="%22Fluid+dynamics%22">Fluid dynamics</searchLink>
– Name: Abstract
  Label: Abstract
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  Data: Abstract: PHWAT is a new model that couples a geochemical reaction model (PHREEQC-2) with a density-dependent groundwater flow and solute transport model (SEAWAT) using the split-operator approach. PHWAT was developed to simulate multi-component reactive transport in variable density groundwater flow. Fluid density in PHWAT depends not on only the concentration of a single species as in SEAWAT, but also the concentrations of other dissolved chemicals that can be subject to reactive processes. Simulation results of PHWAT and PHREEQC-2 were compared in their predictions of effluent concentration from a column experiment. Both models produced identical results, showing that PHWAT has correctly coupled the sub-packages. PHWAT was then applied to the simulation of a tank experiment in which seawater intrusion was accompanied by cation exchange. The density dependence of the intrusion and the snow-plough effect in the breakthrough curves were reflected in the model simulations, which were in good agreement with the measured breakthrough data. Comparison simulations that, in turn, excluded density effects and reactions allowed us to quantify the marked effect of ignoring these processes. Next, we explored numerical issues involved in the practical application of PHWAT using the example of a dense plume flowing into a tank containing fresh water. It was shown that PHWAT could model physically unstable flow and that numerical instabilities were suppressed. Physical instability developed in the model in accordance with the increase of the modified Rayleigh number for density-dependent flow, in agreement with previous research. [Copyright &y& Elsevier]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Environmental Modelling & Software is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1016/j.envsoft.2004.11.008
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        Text: English
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      – SubjectFull: Plumes (Fluid dynamics)
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      – TitleFull: Three-dimensional model for multi-component reactive transport with variable density groundwater flow
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              Text: May2006
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