projects:nmed_pwrc_permian_basin_fate_and_transport_modeling
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Table of Contents
NMED PWRC Permian Basin fate and transport modeling
New Mexico Produced Water Research Consortium (NMPWRC) Award 2024-2025
Fate and Transport
- It is a process that uses environmental parameters and characteristics to simulate how contaminants move and change chemically.
- Fate and transport modeling is used to study the movement of chemicals in the air, water, and soil and how chemicals change in the presence of other substances and particles.
- Fate and transport modeling originated in the late 1970s in response to government laws to protect the public from chemical pollution.
Hydrus-1D
- It is a finite element model that simulates the movement of water, heat, and solutes in porous media.
- It can be used to analyze water and solve movement in unsaturated, partially saturated, and fully saturated porous media.
- Richards’ equation: For saturated-unsaturated water flow.
- Fickian-based advection-dispersion equations: For heat and solute transport.
Uncertainty Analysis
- Uncertainty analysis evaluates the inaccuracy in the model outputs due to uncertain inputs or parameters.
- It measures confidence in prediction and determines critical factors influencing model reliability.
Monte Carlo simulation
- Monte Carlo simulation is a computational method used to model and assess the effects of uncertainty in complex systems.
- It uses repeated random sampling of input variables to produce a range of possible outcomes, enabling the estimation of probabilities and risk assessment.
- This approach is commonly applied in fields such as finance, engineering, and environmental science to support decision-making under uncertainty.
Example of Monte Carlo Simulation
1. Monte Carlo Simulation to Compute Value of Pi
https://github.com/UjjwalMarasini/Monte-Carlo-Simulation/blob/main/Monte%20Carlo%20Simulation.ipynb
2. Monte Carlo Simulation to Compute Integration
Example of Uncertainty Analysis
Modeling in Hydrus1D
- HYDRUS_Technical_Manual: www.pc-progress.com/downloads/Pgm_Hydrus3D5/HYDRUS_Technical_Manual_1D_V5.pdf
Input files
- The input data for HYDRUS are given in five separate input files.These input files consist of one or more input blocks identified by the letters from A through M. The input files and blocks must be arranged as follows:
- All the input files must be placed into one subdirectory. Output files are printed into the same subdirectory. HYDRUS1D.DAT is not read by the executable code, enables communication between particular modules for the user interface.
- SELECTOR.IN
- A. Basic Information
- B. Water Flow Information
- C. Time Information
- D. Root Growth Information
- E. Heat Transport Information
- K. Carbon Dioxide Transport Information
- F. Solute Transport Information
- L. Major Ion Chemistry Information
- G. Root Water Uptake Information
- PROFILE.DAT
- H. Nodal Information
- ATMOSPH.IN
- I. Atmospheric Information
- FIT.IN
- J. Inverse Solution Information
- METEO.IN
- M. Meteorological Information
EXE files
Output files
- The program output consists of 9+(ns-1) output files (when major ion chemistry or dual- permeability are not considered), where ns is the number of solutes considered in the first-order decay chain. When major ion chemistry is considered the program output consists of 13 output files. The output is organized into 3 groups:
- T-level information
- T LEVEL.OUT
- RUN INF.OUT
- SOLUTE.OUT
- OBS NODE.OUT
- CO2 INF.OUT *
- SOLUTEF.OUT +
- SOLUTEM.OUT +
- OBS NODF.OUT +
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