EXAMPLE Hierarchical Modeling Hierarchical Modeling Linking to Science-Support Models Linking to Science-Support Models Groundwater Modeling System RT3D and MT3DMS FRAMES-2.0 Workshop U.S. Nuclear Regulatory Commission Bethesda, Maryland November 15-16, 2007 Pacific Northwest National Laboratory Richland, Washington
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FRAMES-2.0 Workshop U.S. Nuclear Regulatory Commission Bethesda, Maryland November 15-16, 2007
EXAMPLE Hierarchical Modeling Linking to Science-Support Models Groundwater Modeling System RT3D and MT3DMS. FRAMES-2.0 Workshop U.S. Nuclear Regulatory Commission Bethesda, Maryland November 15-16, 2007 Pacific Northwest National Laboratory Richland, Washington. Purpose. - PowerPoint PPT Presentation
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EXAMPLE
Hierarchical ModelingHierarchical ModelingLinking to Science-Support ModelsLinking to Science-Support Models
Pacific Northwest National LaboratoryRichland, Washington
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PurposePurpose
Demonstrate Hierarchical Modeling by Linking to Science-Support ModelsPerform a 3-D Numerical RT3D Groundwater SimulationPerform a Semi-analytical Groundwater Simulation
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FRAMES and GMSFRAMES and GMSGMS is the most sophisticated/comprehensive groundwater modeling package, containing numerous numerical models and support features ONLY GROUNDWATER
FRAMES seamlessly links user-defined disparate models, databases, and modeling systems to transfer data
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MT3DMS and RT3DMT3DMS and RT3D
MT3DMS is a modular, 3-D, multi-species transport model for the simulation of advection, dispersion, and limited chemical reactions Zero- or first-order decay of individual chemicals (no chain formation)
RT3D is essentially MT3DMS with significantly enhanced reaction capabilities Multi-species reactive transport with chain formation Complex reaction kinetics with linked reactions, parallel pathways, etc. Reaction kinetics for any chemical system of interest, including a
mixture of mobile and immobile components
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FRAMES and GMS Linkage/Run ProtocolFRAMES and GMS Linkage/Run Protocol
Set up a calibrated problem within GMS Stand-alone application Generate a GMS Project file (*.gpr) and associated files No intent to duplicate GMS functionality within FRAMES
Map GMS contaminant names to FRAMES contaminant namesIdentify boundary conditions that will changeAutomatically build all linkages and filesBuild the CSMChoose the GMS stand-alone calibrated runIdentify output locationRun models
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Discussion TopicsDiscussion Topics
Example Application of Hierarchical Modeling RT3D Area Source Simulation Semi-analytical Groundwater Simulation
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Example ApplicationExample Applicationof Hierarchical Modelingof Hierarchical Modeling
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Example ApplicationExample Applicationof Hierarchical Modelingof Hierarchical Modeling
RT3DSemi-analytical ModelCompare Semi-analytical and Numerical modeling results
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Problem DescriptionProblem Description
A source of Non-Aqueous Phase Liquid (NAPL) TCE, which is leaching into an aquifer.TCE degrades to DCE and VCNo DCE or VC initially exists at the sourceTCE concentration emanating from the source simulates first-order loss over a vertical plane.Simulate the fate and transport of TCE, DCE, and VC to and within the Saturated Zone
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Top View of Source AreaTop View of Source Area
AnaerobicReaction
ZoneBoundary(Layers 1-3)
N100 ft
50 m
AerobicReaction
Zone
1
2
• Simulation Output Locations ◦ 50 ft ◦ 180 ft • Source Term (1 layer)
12
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TCE Concentrations Emanating from the Source
0
2
4
6
8
10
12
14
0 5 10 15 20 25 30 35 40
Time from Start of Release (yr)
Con
cent
ratio
n (m
g/L)
12
A
A’
A
A’
13
N100 ft
50 m
• Hydraulic Head Contours • Horizontal Conductivity • Flow Vectors • Source Term
Hor
izon
tal H
ydra
ulic
Con
duct
ivity
(ft/d
ay)
100
35
20
10
5.0
1.0
0.5
0.1
1E-2
1E-3
1E-4
1E-5
0
Hor
izon
tal H
ydra
ulic
Con
duct
ivity
(ft/d
)
28
29
39
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Problem SummaryProblem SummaryArea source release to an aquifer
Semi-analytical model assumes that the progeny travel at the same speed as the parent one average, linear, unidirectional, pore-water velocity that Dispersivities/Dispersion coefficients (in three
dimensions) are spatially constant that all hydrogeochemical properties are spatially
constant progeny formation based on Bateman’s equation
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• Remove the Synchronization Operator• Choose the MEPAS 5.0 Aquifer Module• Save simulation with a different name
Build the CSM with the Semi-analytical Model
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40
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TCE Aquifer Modeling Results(at 50 ft = R13, C21, L1)
exp5:Aquifer Constituent Concentration for TCE (79016)
0.0
0.5
1.0
1.5
2.0
2.5
0 10 20 30 40 50 60
yr
mg/
L
Aquifer Constituent Concentration for TCE (79016)
0.0
0.5
1.0
1.5
2.0
2.5
0 10 20 30 40 50 60
yr
mg/
L
RT3DResults
Semi-analyticalResults
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DCE Aquifer Modeling Results(at 50 ft = R13, C21, L1)
exp5:Aquifer Constituent Concentration for 1,1 dichloroethylene (75354)
0.0
0.5
1.0
1.5
2.0
2.5
3.0
0 10 20 30 40 50 60
yr
mg/
L
Aquifer Constituent Concentration for 1,1 dichloroethylene (75354)
0.0
0.5
1.0
1.5
2.0
2.5
0 10 20 30 40 50 60
yr
mg/
L
RT3DResults
Semi-analyticalResults
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VC Aquifer Modeling Results(at 50 ft = R13, C21, L1)
exp5:Aquifer Constituent Concentration for Vinyl chloride (75014)
0.0
0.5
1.0
1.5
2.0
0 10 20 30 40 50 60
yr
mg/
L
RT3DResults
Semi-analyticalResults
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TCE Aquifer Modeling Results(at 180 ft = R15, C23, L1)
exp5:Aquifer Constituent Concentration for TCE (79016)
0.00
0.10
0.20
0.30
0.40
0.50
0 10 20 30 40 50 60 70 80 90 100
yr
mg/
L
Aquifer Constituent Concentration for TCE (79016)
0.0
0.1
0.2
0.3
0.4
0.5
0.6
0 10 20 30 40 50 60 70 80 90 100
yr
mg/
L
RT3DResults
Semi-analyticalResults
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DCE Aquifer Modeling Results(at 180 ft = R15, C23, L1)
exp5:Aquifer Constituent Concentration for 1,1 dichloroethylene (75354)
0.0
0.2
0.4
0.6
0.8
1.0
1.2
0 10 20 30 40 50 60 70 80 90 100
yr
mg/
L
Aquifer Constituent Concentration for 1,1 dichloroethylene (75354)
0.0
0.2
0.4
0.6
0.8
1.0
1.2
0 10 20 30 40 50 60 70 80 90 100
yr
mg/
L
RT3DResults
Semi-analyticalResults
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VC Aquifer Modeling Results(at 180 ft = R15, C23, L1)
exp5:Aquifer Constituent Concentration for Vinyl chloride (75014)
0.0
0.5
1.0
1.5
2.0
2.5
0 10 20 30 40 50 60 70 80 90 100
yr
mg/
L
Aquifer Constituent Concentration for Vinyl chloride (75014)