{
"@context": "http://schema.org",
"@type": "ScholarlyArticle",
"@id": "https://doi.org/10.4122/1.1000000717",
"url": "https://zenodo.org/record/3536874",
"name": "An Integrated Media, Integrated Processes Watershed Model – WASH123D: Part 8 – Reactive Chemical Transport in Subsurface Media",
"author": [
{
"name": "Fan Zhang",
"givenName": "Fan",
"familyName": "Zhang",
"@type": "Person",
"@id": "zhangf@ornl.gov"
},
{
"name": "Gour-Tsyh Yeh",
"givenName": "Gour-Tsyh",
"familyName": "Yeh",
"@type": "Person",
"@id": "gyeh@mail.ucf.edu"
},
{
"name": "Jack Parker",
"givenName": "Jack",
"familyName": "Parker",
"@type": "Person",
"@id": "parkerjc@ornl.gov"
},
{
"name": "Scott Brooks",
"givenName": "Scott",
"familyName": "Brooks",
"@type": "Person",
"@id": "brookssc@ornl.gov"
},
{
"name": "Molly Pace",
"givenName": "Molly",
"familyName": "Pace",
"@type": "Person",
"@id": "pacem@ornl.gov"
},
{
"name": "Young-Jin Kim",
"givenName": "Young-Jin",
"familyName": "Kim",
"@type": "Person",
"@id": "kimy1@ornl.gov"
},
{
"name": "Philip Jardine",
"givenName": "Philip",
"familyName": "Jardine",
"@type": "Person",
"@id": "jardinepm@ornl.gov"
},
{
"name": "Fan Zhang",
"givenName": "Fan",
"familyName": "Zhang",
"@type": "Person",
"@id": "zhangf@ornl.gov"
}
],
"description": "A watershed system includes river/stream networks, overland regions, and subsurface \nmedia. This paper presents a reaction-based numerical model of reactive chemical \ntransport in subsurface media of watershed systems. Transport of M chemical species \nwith a variety of chemical and physical processes is mathematically described by M \npartial differential equations (PDEs). Decomposition via Gauss-Jordan column \nreduction of the reaction network transforms M species reactive transport equations \ninto M reaction extent-transport equations (a reaction extent is a linear \ncombination of species concentrations), each involves one and the only one linearly \nindependent reaction. Thus, the reactive transport problem is viewed from two \ndifferent points of view. Descirbed with a species-transport equation, the \ntransport of a species is balanced by a linear combinations of rates of all \nreactions. Described by a reaction extent-transport equation, the rate of a linear \nindependent reaction is balanced by the transport of the linear combination of \nspecies. The later description facilitates the decoupling of fast reactions from \nslow reactions and circumvent the stiffness of reactive transport problems. This \nis so because the M reaction extent-transport equations can be approximated with \nthree subsets of equations: NE algebraic equations describing NE fast reactions \n(where NE is the set of linearly independent fast/equilibrium reactions), NKI \nreactive transport equations of kinetic-variables involving no fast reactions \n(where NKI is the number of linearly independent slow/kinetic reactions), and NC \ntransport equations of components involving no reaction at all (where NC = M – NE – \nNKI is the number of components). The elimination of fast reactions from reactive \ntransport equations allows robust and efficient numerical integration. The model \nsolves the PDEs of kinetic-variables and components rather than individual chemical \nspecies, which reduces the number of reactive transport equations and simplifies \nthe reaction terms in the equations. Two validation examples involving simulations \nof uranium transport in soil columns are presented to evaluate the ability of the \nmodel to simulate reactive transport with reaction networks involving both kinetic \nand equilibrium reactions. A hypothetical three-dimensional example is presented to \ndemonstrate the model application to a field-scale problem involving reactive \ntransport with a complex reaction network.",
"inLanguage": "en",
"datePublished": "2006",
"publisher": {
"@type": "Organization",
"name": "XVI International Conference on Computational Methods in Water Resources"
},
"provider": {
"@type": "Organization",
"name": "datacite"
}
}