a PFLOTRAN reaction sandbox for particle transport
A leaking pipe near an extraction well.
runSetbackWell.py reads a CSV file with a list of cases to run in PFLOTRAN, allowing the variation of parameters that are pointed out in the template .IN file as follows:
REACTION_SANDBOX
BIOPARTICLE
RATE_ATTACHMENT <katt> 1/s
RATE_DETACHMENT <kdet> 1/s
/
/
the tags <katt> and <kdet> are replaced for the list of values indicated in the csv-file, in the column with the same header.
$ python3 runSetbackWell.py [CSV_PARAMETERS] [TEMPLATE_FILE]
Where:
[CASES.CSV]: path to csv file with the list of parameters and the corresponding tags[TEMPLATE.IN]: input file template for PFLOTRAN and the corresponding tagsAll cases listed in the CSV file will run in parallel: if four cases are given, four processes are started. This is different than splitting the domain of each single case and running it into n different processes.
An injection of nanoparticles at a given concentration is set at a region on the top boundary of an aquifer. This injection last for five days, after that, clean water keeps leaking into the system. At the left-side of the domain there is an extraction well extracting water at a constant rate. The right-side boundary of the aquifer is assumed open, assuming the water table is found at the surface.

| Aquifer parameters | Value | Unit | |
|---|---|---|---|
| Lenght | L | 580 | m |
| Depth | H | 116 | m |
| Permeability | k | 1.0 × 10-10 | m2 |
| Porosity | φ | 0.33 | - |
| Long. Dispersivity | αL | 0.015 | cm |
| Leaking parameters | Value | Unit | |
|---|---|---|---|
| Distance to well | rs | 435 | m |
| Leaking distance | ls | 15 | m |
| Leaking rate | ql | 1.5 | m/day |
| Extraction well | Value | Unit | |
|---|---|---|---|
| Top elevation | rs | 82.4 | m |
| Bottom elevation | H | 32.5 | m |
| Flow rate | Qe | 83.3 | m3/d |
| Case | katt | kdet | λaq | λim |
|---|---|---|---|---|
| Conservative tracer | 0 | 0 | 0 | 0 |
| Only decay | 0 | 0 | 5.0 × 10-3 | 0 |
| Only kinetic sorption | 5.0 × 10-2 | 1.0 × 10-2 | 0 | 0 |
| Sorption + Decay | 5.0 × 10-2 | 1.0 × 10-2 | 5.0 × 10-3 | 1.0 × 10-2 |
k and λ units in [d-1]



