(Zheng and Bennett) Steps in Transport Modeling Calibration step (calibrate flow model & transport...
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![Page 1: (Zheng and Bennett) Steps in Transport Modeling Calibration step (calibrate flow model & transport model) Adjust parameter values Traditional approach.](https://reader035.fdocuments.net/reader035/viewer/2022062718/56649ebc5503460f94bc4f8a/html5/thumbnails/1.jpg)
(Zheng and Bennett)
Steps in Transport Modeling
Calibration step(calibrate flow model& transport model)
Adjust parameter values
Traditional approach
![Page 2: (Zheng and Bennett) Steps in Transport Modeling Calibration step (calibrate flow model & transport model) Adjust parameter values Traditional approach.](https://reader035.fdocuments.net/reader035/viewer/2022062718/56649ebc5503460f94bc4f8a/html5/thumbnails/2.jpg)
Comparison ofmeasured andsimulatedconcentrations
![Page 3: (Zheng and Bennett) Steps in Transport Modeling Calibration step (calibrate flow model & transport model) Adjust parameter values Traditional approach.](https://reader035.fdocuments.net/reader035/viewer/2022062718/56649ebc5503460f94bc4f8a/html5/thumbnails/3.jpg)
Average calibration errors (residuals) are reported as:
Mean Absolute Error (MAE) = 1/N calculatedi – observedi
Root Mean Squared Error (RMS) = 1/N (calculatedi – observedi)2½
Sum of squared residuals = (calculatedi – observedi)2
Minimize errors; Minimize the objective function
![Page 4: (Zheng and Bennett) Steps in Transport Modeling Calibration step (calibrate flow model & transport model) Adjust parameter values Traditional approach.](https://reader035.fdocuments.net/reader035/viewer/2022062718/56649ebc5503460f94bc4f8a/html5/thumbnails/4.jpg)
(Zheng and Bennett)
Steps in Transport Modeling
Calibration step(calibrate flow model& transport model)
Adjust parameter values
Traditional approach
![Page 5: (Zheng and Bennett) Steps in Transport Modeling Calibration step (calibrate flow model & transport model) Adjust parameter values Traditional approach.](https://reader035.fdocuments.net/reader035/viewer/2022062718/56649ebc5503460f94bc4f8a/html5/thumbnails/5.jpg)
Input Parameters for Transport Simulation
Flow
Transport
hydraulic conductivity (Kx, Ky Kz)storage coefficient (Ss, S, Sy)
porosity ()dispersivity (L, TH, TV)retardation factor or distribution coefficient1st order decay coefficient or half life
recharge ratepumping rates
source term (mass flux)
All of these parameterspotentially could be estimatedduring calibration. That is,they are potentially calibrationparameters.
![Page 6: (Zheng and Bennett) Steps in Transport Modeling Calibration step (calibrate flow model & transport model) Adjust parameter values Traditional approach.](https://reader035.fdocuments.net/reader035/viewer/2022062718/56649ebc5503460f94bc4f8a/html5/thumbnails/6.jpg)
(Zheng and Bennett)
Steps in Transport Modeling
Calibration step(calibrate flow model& transport model)
Adjust parameter values
Traditional approach
![Page 7: (Zheng and Bennett) Steps in Transport Modeling Calibration step (calibrate flow model & transport model) Adjust parameter values Traditional approach.](https://reader035.fdocuments.net/reader035/viewer/2022062718/56649ebc5503460f94bc4f8a/html5/thumbnails/7.jpg)
Problems with this approach:
The model goes out of calibration.
The results of the sensitivity runs represent unreasonable scenarios.
In a traditional sensitivity analysis, sensitive parameters are varied withinsome range of the calibrated value.
The model is run using these extreme values of the sensitive parameterwhile holding the other parameters constant at their calibrated values.
The effect of variation (uncertainty) in the sensitive parameter on model resultsIs evaluated.
A sensitivity analysis is meant to address uncertainty in parameter values.
![Page 8: (Zheng and Bennett) Steps in Transport Modeling Calibration step (calibrate flow model & transport model) Adjust parameter values Traditional approach.](https://reader035.fdocuments.net/reader035/viewer/2022062718/56649ebc5503460f94bc4f8a/html5/thumbnails/8.jpg)
Dr. John DohertyWatermark NumericalComputing, Australia
PESTParameter ESTimation
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New Book2007
Mary C. HillClaire R. Tiedeman USGS Modelers
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Multi-modelAnalysis (MMA)
From Hill and Tiedeman 2007
Predictions and sensitivityanalysis are now insidethe calibration loop
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Modelcalibration conditions
Input files
PEST
Input files
Modelpredictive conditions
Output files Output files
Maximise or minimise key prediction while keeping model calibrated
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p1
p2
Estimated parameter values; nonlinear case:-
Objective function minimum
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p1
p2
Likely parameter values
Objective function contours – nonlinear model
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Calibration of a flow model is relatively straightforward:
• Match model results to an observed steady state flow field• If possible, verify with a transient calibration
Calibration to flow is non-unique.
Calibration of a transport model is more difficult:
• There are more potential calibration parameters• There is greater potential for numerical error in the solution• The measured concentration data needed for calibration may be sparse or non-existent
Transport calibrations are non-unique.
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Borden Plume
Simulated: double-peakedsource concentration(best calibration)
Simulated: smoothsource concentration(best calibration)
Z&B, Ch. 14
Calibration is non-unique.Two sets of parameter values give equally good matches to the observed plume.
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“Trial and error”method of calibration
Assumed source input function
R=1 R=3
R=6 observed
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Modeling done by Maura Methenyfor the PhD under the direction ofProf. Scott Bair, Ohio State University
Case Study: Woburn, Massachusetts
TCE (Trichloroethene)
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1 0 1 0 0 1 0 0 0
C o n c e n t r a t i o n o f T C E i n m i c r o g r a m s p e r l i t e r
0 1000 feet
TCE in 1985
W.R.Grace
•
BeatriceFoods
Woburn Site
MunicipalWells G & H
Aberjona River
Geology:buried river valleyof glacial outwash andice contact depositsoverlyingfractured bedrock
The trial took place in 1986.
Did TCE reach the wells before May 1979?
Wells G&H operated from October 1964- May 1979
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MODFLOW, MT3D, and GWV
6 layers, 93 rows, 107 columns (30,111 active cells)
Woburn Model: Design
The transport model typically took two to three days to run on a 1.8 gigahertz PC with 1024K MB RAM.
Wells operated from October 1964- May 1979
Simulation from Jan. 1960 to Dec. 1985using 55 stress periods (to account for changes in pumpingand recharge owing to changes in precipitation and land use)
Five sources of TCE were included in the model:• New England Plastics• Wildwood Conservation Trust (Riley Tannery/Beatrice Foods)• Olympia Nominee Trust (Hemingway Trucking)• UniFirst• W.R. Grace (Cryovac)
![Page 20: (Zheng and Bennett) Steps in Transport Modeling Calibration step (calibrate flow model & transport model) Adjust parameter values Traditional approach.](https://reader035.fdocuments.net/reader035/viewer/2022062718/56649ebc5503460f94bc4f8a/html5/thumbnails/20.jpg)
Calibration of a flow model is generally straightforward:
• Match model results to an observed steady state flow field• If possible, verify with a transient calibration
Calibration to flow is non-unique.
Calibration of a transport model is more difficult:
• There are more potential calibration parameters• There is greater potential for numerical error in the solution• The measured concentration data needed for calibration may be sparse or non-existent
Transport calibrations are non-unique.
Calibration Targets: concentrations
Calibration Targets:Heads and fluxes
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Source term input function
From Zheng and Bennett
Used as a calibrationparameter in the Woburnmodel
Other possible calibrationparameters include:K, recharge, boundary conditions
dispersivitieschemical reaction terms
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Flow model (included heterogeneity in K, S and )• Water levels• Streamflow measurements• Groundwater velocities from helium/tritium groundwater ages
It cannot be determined which, if any, of the plausible scenariosactually represents what occurred in the groundwater flow system during this period, even though each of the plausible scenarios
closely reproduced measured values of TCE.
Woburn Model: Trial & Error Calibration
Transport Model (included retardation)The animation represents one of several equally plausible simulationsof TCE transport based on estimates of source locations, sourceconcentrations, release times, and retardation. The group of plausible scenarios was developed because the exact
nature of the TCE sources is not precisely known.
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Traditional approach
Steps in Modeling
New Paradigm
Calibration step:calibrate flow model& transport model
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“Automated” Calibration
From Zheng and Bennett
Codes: UCODE, PEST,MODFLOWP
Case Study
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From Zheng and Bennett
source term
Sum of squared residuals = (calculatedi – observedi)2
Transport data are useful incalibrating a flow model
recharge
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Comparison of observed vs.simulated concentrations at3 wells for the 10 parametersimulation.
From Zheng and Bennett