environmental fate & transport modeling of … · 50 60 70 80 0 10 20 30 40 50 60 70 80...
TRANSCRIPT
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ENVIRONMENTAL FATE & TRANSPORT MODELING OF
EXPLOSIVES & PROPELLANTS IN THE SATURATED ZONE
Christopher Abate AMEC
Jacob Zaidel AMEC
Al Laase AMEC
Jay L. Clausen AMEC
David Hill MAARNG UMASS Contaminated Soils, Sediments, and Water Conference October 23rd, 2002
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MASSACHUSETTS MILITARY RESERVATION (MMR)
Demo 1
ImpactArea
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MMR OVERVIEW
• 21,000 acre site for military training activities since 1911 – peaked during WWII
• USEPA banned training in 1997
• Surrounded by coastal resort towns of Bourne, Falmouth, Mashpee and Sandwich, MA
• 21,000 acre site for military training activities since 1911 – peaked during WWII
• USEPA banned training in 1997
• Surrounded by coastal resort towns of Bourne, Falmouth, Mashpee and Sandwich, MA
• Lies above recharge area for the Sagamore Lens - the most productive part of Cape Cod Aquifer and sole source of drinking water for surrounding communities
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EXPLOSIVE AND PROPELLANT CONSTITUENTS OF CONCERNEXPLOSIVE AND PROPELLANT CONSTITUENTS OF CONCERN
• RDX - Explosive Compound
• TNT - Explosive Compound
• HMX - Impurity of RDX
• 4A-DNT - Degradation Product of TNT
• 2A-DNT - Degradation Product of TNT
• 2,4-DNT - Propellant
• PERCHLORATE - Propellant
• RDX - Explosive Compound
• TNT - Explosive Compound
• HMX - Impurity of RDX
• 4A-DNT - Degradation Product of TNT
• 2A-DNT - Degradation Product of TNT
• 2,4-DNT - Propellant
• PERCHLORATE - Propellant
*all detected in soils at Demo 1
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SCOPE OF MMR/DEMO 1 MODELING PROGRAMSCOPE OF MMR/DEMO 1 MODELING PROGRAM
• Unsaturated Zone - soil characterization, SESOIL simulation of fate & transport to watertable, HELP simulation of transient recharge
• Saturated Zone - aquifer characterization, MODFLOW simulations of steady-state/transient flow, MT3D simulations of fate & transport
° Regional flow model (Western Cape Cod)
° Embedded subregional model for Demo 1
° Fate & transport model of RDX
° Optimization modeling of remediation scenarios: hydraulic control, aggressive extraction/reinjection to meet time and/ or mass removal criteria for multiple COCs
• Unsaturated Zone - soil characterization, SESOIL simulation of fate & transport to watertable, HELP simulation of transient recharge
• Saturated Zone - aquifer characterization, MODFLOW simulations of steady-state/transient flow, MT3D simulations of fate & transport
° Regional flow model (Western Cape Cod)
° Embedded subregional model for Demo 1
° Fate & transport model of RDX
° Optimization modeling of remediation scenarios: hydraulic control, aggressive extraction/reinjection to meet time and/ or mass removal criteria for multiple COCs
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CONCEPTUAL HYDROGEOLOGIC MODEL CONCEPTUAL HYDROGEOLOGIC MODEL
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HYDRAULIC CONDUCTIVITY VALUES FOR DEMO 1 IN USGS MODELHYDRAULIC CONDUCTIVITY VALUES FOR DEMO 1 IN USGS MODEL
ModelLayer
Elevation*(ft ngvd)
Range of K Values(ft/d)
K Values at Demo 1(ft/d)
1 above 40 125 - 350 2902 20 to 40 125 - 350 2903 0 to 20 125 - 300 2904 -20 to 0 100 - 290 2905 -40 to -20 70 - 230 2306 -60 to -40 70 - 230 2307 -80 to -60 30 – 200 1258 -100 to -80 10 - 125 709 -140 to -100 10 - 70 30
10 bedrock** to -140 10 - 70 3011 NA 10 - 30 NA
*In the central portion; ** about -200 to -150 ft ngvd
(based on USGS Regional Model)
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Complexity of the Fate & Transport Modeling Process
QAQC
- pump test analysis- additional boring logs - recharge data
Updated regional MODFLOW simulation
QAQC/recalibration
Sub-regional cutout MODFLOW simulations MODTMR
- well sampling/analysis- plume shell delineation
Flow Modeling
Transport Modeling
Post-processing of MT3D output
Kriging to volumetric model
Plume iso-surface rendering
Visualization
Integration with GIS
Interpolation of plume shells
MT3D calibration- source term- dispersivities
Plume pore volumes required
No action MT3D simulation
Remediation alternatives MT3D simulations
Weighted particle track optimization of well
locations
MODPATHPathline Analysis
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- 200,000 cells- 11 layers- 660’ x 660’
equilateral grid
MMR-8 REGIONAL MODFLOW SIMULATION
Demo 1
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“general head” boundary condition
“stream” boundary condition
“drain” boundary condition
well field
REGIONAL BOUNDARY CONDITIONS
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2000 Water Levels
Computed for 1993 Conditions
MODELED vs. OBSERVED WATERTABLE
Demo 1
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CALIBRATION TO 1993 WATER LEVELSCALIBRATION TO 1993 WATER LEVELS
0
10
20
30
40
50
60
70
80
0 10 20 30 40 50 60 70 80
observed
com
pute
d
observation pointsmatchline
Statistics
ME = 0.30MAE = 0.96RMSE = 1.4RMSE/Range = 2.08%
MMR-8 RegionalSimulation
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DEMO 1 SOURCE AREA
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DEMO 1 MAGNETIC ANOMALIES
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DEMO-1N Model
DEMO-1C Model
DEMO-1R Model
REGIONAL MODEL GRID AND RELATIONSHIP WITH SUB-REGIONAL MODELS
REGIONAL MODEL GRID AND RELATIONSHIP WITH SUB-REGIONAL MODELS
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COMPARISON OF PARTICLE TRACKS WITH DEMO 1 RDX PLUME GEOMETRYCOMPARISON OF PARTICLE TRACKS WITH DEMO 1 RDX PLUME GEOMETRY
Original USGS Model
AMEC Regional &Subregional Models
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5 Years
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10 Years
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15 Years
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20 Years
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25 Years
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30 Years
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35 Years
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40 Years
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45 Years
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50 Years
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55 Years
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60 Years
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MODEL PREDICTED PARTICLE PATHS VS CURRENT PLUME CONFIGURATIONMODEL PREDICTED PARTICLE PATHS VS CURRENT PLUME CONFIGURATION
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CALIBRATED F&T MODEL PARAMETERSParameter Initial
Value/LocationCalibrated
Value/ LocationReference/Comment
Porosity 0.39 0.39
Soil Bulk Density (kg/L) 1.609 1.609Water-Soil Distribution
Coefficient (L/kg)0.056 0.056 Average of the Kd values for deep
soil obtained by UTX (2001).
3 30.06 0.06
Dispersivity (ft)Longitudinal
Transverse HorizontalTransverse Vertical
0.0015 0.0015
Garabedian et al., WWR, May 1991
First-Order DegradationRate (day-1)
0 0 Negligible degradation of RDX(McGrath, 1994; JE Inc., June2000).
Source Location(s) Kettle Hole Kettle Hole, southwestand northeast of Kettle
Hole
Figure 5 shows calibrated locationof RDX sources within Demo Area 1
Source Strength/Concentration (µg/L)
120 0 – 4,500 Initial source concentration wascalculated based on the estimatedcurrent RDX dissolved mass of 18kg and the assumed release time of30 years
Note: Utilized porosity, soil bulk density and water-soil distribution coefficient values resulted in the retardation factor of 1.23.
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Source Area 1
0
1
2
3
4
5
0 2,000 4,000 6,000 8,000 10,000 12,000Time (days)
RDX
Rec
harg
e C
once
ntra
tion
(mg/
L)
Source Area 2
0
1
2
0 2,000 4,000 6,000 8,000 10,000 12,000Time (days)
RDX
Rech
arge
Con
cent
ratio
n (m
g/L)
Source Area 3
0
1
2
0 2,000 4,000 6,000 8,000 10,000 12,000Time (days)
RDX
Rech
arge
Con
cent
ratio
n (m
g/L)
Source Area 4
0
1
0 2,000 4,000 6,000 8,000 10,000 12,000Time (days)
RDX
Rech
arge
Con
cent
ratio
n (m
g/L)
Area 1 Area 2
Area 4Area 3
21
34
RECHARGESOURCETERMS
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TRANSPORT CALIBRATION SUMMARY
PARAMETER MODELPREDICTED
OBSERVED/ESTIMATED
Total Mass of DissolvedRDX (kg) 14 16
Width of RDX Plume (ft) 450 500
Length of RDX Plume (ft) 5,600 5,500
Depth of RDX Plume (ftbwt) 90 80
Maximum Concentrationof RDX within Demo 1(ug/L)
420 390
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TRANSPORT CALIBRATION: PLUME GEOMETRY
Layer 5
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SIMULATED RDX MASS WITH DEPTHSIMULATED RDX MASS WITH DEPTH
-100
-80
-60
-40
-20
0
0 1 2 3 4 5
Mass (kg)
Dep
th B
elow
Wat
er T
able
(ft)
Observed Computed
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TRANSPORT SENSITIVITY ANALYSISTRANSPORT SENSITIVITY ANALYSISVaried Parameter(s) Interpreted
RDX Mass(kg)
SimulatedRDX Mass
(kg)Base Case (no variation)* 16.1 16.5Water-Soil Distribution Coefficient (Kd)
Kd=0.070 L/kg (increased by 25%)Kd=0.042 L/kg (decreased by 25%)
16.116.1
15.717.4
Porosity (φ)φ=0.32φ=0.42
13.217.3
16.016.7
Porosity and Water-Soil Distribution Coefficient φ=0.32, Kd=0.1 L/kg** 13.2 13.5
Dispersivity ( λL)λL = 6 ft (increased by a factor of 2 in all layers)
λL = 30 ft in Layer 1, λL = 3 ft elsewhere(increased by a factor of 10 in Layer 1)
16.116.1
16.516.5
*Base Case combination of input parameters is shown in Table 1; **Same retardation factor asin the Base Case scenario.
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DEMO 1: RDX 3-d PLUME ANIMATION
20 Year No-Action Scenario
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OPTIMIZATION MODELING APPROACHOPTIMIZATION MODELING APPROACH• Optimize extraction system design through iterative
evaluation of capture at all potential well locations° every model cell or only “allowable” locations
• Plume represented by particles, capture success and time evaluated through standard forward particle tracking
• Weighting particles by mass density constitutes a proxy for more computationally intensive transport modeling and allows approximation of mass recovery
• Weighting particles by “pore volumes required for cleanup” provides a means of simultaneously evaluating multiple COCs
• Optimize extraction system design through iterative evaluation of capture at all potential well locations
° every model cell or only “allowable” locations
• Plume represented by particles, capture success and time evaluated through standard forward particle tracking
• Weighting particles by mass density constitutes a proxy for more computationally intensive transport modeling and allows approximation of mass recovery
• Weighting particles by “pore volumes required for cleanup” provides a means of simultaneously evaluating multiple COCs
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PARTICLE TRACKING OPTIMIZATION ALGORITHM
Rank Wells
Which Is Best?
Rate Increment Loop
Capture?
Rate Reduction Loop
Done
NoSolution
No Wells
Yes
More Wells?
No
Yes
Find the well that captures the most particles with onesimulation per well.
No
Lockout Particles
Gradually increment the rate for the chosen well to see if complete capture can be achieved.
Gradually decrease the rate for all chosen wells to see if capture can be maintained at lower pumping rates.
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DEMO 1:PRELIMINARY 10-YEAR REMOVAL DESIGN OPTIMUM WELL LOCATIONS AND PUMPING RATES
DEMO 1:PRELIMINARY 10-YEAR REMOVAL DESIGN OPTIMUM WELL LOCATIONS AND PUMPING RATES
1 - 66014161 - 2205252 - 8701824
4 - 119018934 - 119018924 - 11901891
Model Layers
Screen Length
Q, gpmWell
1 23
45
6
Demo 1Kettle
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COMPUTING PORE VOLUMES REQUIRED FOR CLEANUPCOMPUTING PORE VOLUMES REQUIRED FOR CLEANUP
n = ln(CS/Ci)/ln(1-1/R) (Duetsch 1997)where:n = number of pore volumes required removing to achieve standardCS = groundwater standardCi = initial concentrationR = retardation factor
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COMPARISON OF PORE VOLUMES REQUIRING REMOVAL TO ACHIEVE STANDARDCOMPARISON OF PORE VOLUMES REQUIRING REMOVAL TO ACHIEVE STANDARD
3799.4616.510.201002,4-DNT24714.753.140.35100Perchlorate3889.422.070.20100TNT11333.221.170.20100RDX
Required Days to Remove 1 Pore
Volume for 10-Year Cleanup
Pore Volumes Requiring
Removal to Achieve
Standard
RetardationFactor
Groundwater Standard,
ug/L
Initial Concentration
ug/LContaminant
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LAYER 6 – PORE VOLUMES REQUIRING REMOVAL TO ACHIEVE STANDARDLAYER 6 – PORE VOLUMES REQUIRING REMOVAL TO ACHIEVE STANDARD
RDXPerchlorate
Contaminant Controlling Removal Rate
Pore Volumes
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DEMO 1: PRELIMINARY 10-YEAR REMOVAL DESIGN MASS REMOVALDEMO 1: PRELIMINARY 10-YEAR REMOVAL DESIGN MASS REMOVAL
Scenario 1
0%
10%
20%
30%
40%
50%
60%
70%
80%
90%
100%
0 1 2 3 4 5 6 7 8 9
Number of Wells
Mas
s R
emov
ed
0
500
1000
1500
2000
2500
3000
3500
Cum
mul
ativ
e Pu
mpi
ng, g
pm
Mass Removal Cummulative Pumping
Number of Wells
Mas
s Rem
oved
Cum
ulat
ive
Pum
ping
(gpm
)
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DEMO 1:PRELIMINARY 10-YEAR REMOVAL DESIGN LAYER 6 CAPTURE TIMES
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…. IN CONCLUSION …. IN CONCLUSION • Regional and Subregional Flow Modeling
° ideal geology for Darcian assumptions and finite difference approach, public domain codes adequate
• Transport Modeling° literature values of major transport parameters appear
reasonable
° computationally intensive
• Optimization Modeling° replaces conventional trial & error approaches and speeds
design
° in conjunction with pore volume removal calculations provides a proxy for transport modeling (to be verified)
° makes use of parallel computing (Brute Force)
• Regional and Subregional Flow Modeling° ideal geology for Darcian assumptions and finite difference
approach, public domain codes adequate
• Transport Modeling° literature values of major transport parameters appear
reasonable
° computationally intensive
• Optimization Modeling° replaces conventional trial & error approaches and speeds
design
° in conjunction with pore volume removal calculations provides a proxy for transport modeling (to be verified)
° makes use of parallel computing (Brute Force)
![Page 46: ENVIRONMENTAL FATE & TRANSPORT MODELING OF … · 50 60 70 80 0 10 20 30 40 50 60 70 80 observed comput ed observation points matchline Statistics ME = 0.30 MAE = 0.96 RMSE = 1.4](https://reader034.vdocument.in/reader034/viewer/2022043012/5fac11ab031be25d9851e8b2/html5/thumbnails/46.jpg)
Thanks!
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-20
0
20
40
Ele
vatio
n(N
AD
27fe
et)
856000
858000
860000
Easting (feet)
253000253500
254000254500 Northing (feet)
DEMO 1: RDX PLUME ISOSURFACES
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1 0 1 2 Miles
Land Surface0 - 300No Data
MMRWatertableWaterImpact Area Model AreaDemo-1 Model AreaJ Ranges Model Area
CIA
SUB-REGIONAL MODEL GRIDS
J Ranges
DEMO 1
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Land SurfaceWater TableRdx PlumeBedrockMMR BoundaryRoads
DEMO 1 CONCEPTUALIZATIONDEMO 1 CONCEPTUALIZATION
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RELATED TASKSRELATED TASKS• Particle tracking
1) assist monitoring well location and design and
2) locate source areas related to groundwater detections
• Zones of Contribution (ZOCs) Updated for existing and proposed municipal water supply wells (42 total on Western Cape).
• Particle tracking1) assist monitoring well location and design and
2) locate source areas related to groundwater detections
• Zones of Contribution (ZOCs) Updated for existing and proposed municipal water supply wells (42 total on Western Cape).
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DEMO 1 LOCATIONDEMO 1 LOCATION