This archive contains files related to the manuscript, NUMERICAL INVESTIGATION OF WELLBORE METHANE LEAKAGE IN DUAL-DOMAIN POROUS MEDIA AND SUBSEQUENT TRANSPORT IN GROUNDWATER by Amy Rice, John McCray, and Kamini Singha, for Water Resources Research.

It contains two types of files:
(1) Selected TOUGH2 input files (.dat file extension)
There are four input files. They pertain to simulations of methane transfer from a leaking hydrocarbon production well below groundwater. They are:
reservoir_DDMT.dat
reservoir_noDDMT.dat
aquifer_gwv2_DDMTinreservoir.dat
aquifer_gwv2_noDDMTinreservoir.dat

The first and second .dat files are used to simulate methane leakage in a shale reservoir, parameterized as the Pierre Shale underlying the Denver Basin aquifer system. The first file includes dual-domain mass transfer (DDMT), via the MINC method, in the shale. The second .dat file does not include DDMT.
The third and fourth .dat files are used to simulate methane migration in an aquifer, parameterized as the Laramie-Fox Hill Aquifer, which is the deepest productive aquifer of the Denver Basin aquifer system.  


(2) Selected files used to make figures in the paper (.mat and .txt file extensions) 
There are two .mat files. They each contain two 5000101x1 double matrices, named "DG" and "TIME", with DG providing density of methane (kg/m^3) everywhere in the modeled domain of the aquifer and TIME providing model time in seconds for simulations with groundwater velocity=0.01 m/d. They can be opened using MATLAB or Octave.

The .mat files are:

DDMT_LFH.mat (the filename stands for "Dual Domain Mass Transfer, Laramie-Fox Hills") was used to plot the solid black line on Figure 7b. DDMT_LFH.mat was also used to as a base case in the paper's Supplementary Information, Figure S2 top panel. 
noDDMT_LFH.mat (the filename stands for "No Dual Domain Mass Transfer, Laramie-Fox Hills") was used to plot the dashed red line on Figure 7b. noDDMT_LFH.mat was also used to as a base case in the paper's Supplementary Information, Figure S2 bottom panel.

The .txt files contain selections from the .mat files. Instead of methane concentrations for the entire domain, the .txt files show methane concentration through time for an observation well 100-m downstream from a leaking well screened in the bottom 10 m of the aquifer, 90-100 m below ground surface. They can be opened using any text editor.

The .txt files are:

DDMT_LFH.txt 
noDDMT_LFH.txt (following the same naming convention as the .mat files)

To extract specific well locations from the .mat files, it is necessary to know the total number of cells in the simulated aquifer, which is 50001. Also, to extract model data for a specific observation well, the index number of the bottom interval of the observation wells must be known. These are:

index=2361; %(index of cell O10, obs 1, not including header cell in output file)
index=2381; %(index of cell O30, obs 2, not including header cell in output file)
index=2489; %(index of cell P40, obs 3, not including header cell in output file)
index=2499; %(index of cell P50, obs 4, not including header cell in output file)
index=2421; %(index of cell O70, obs 5, not including header cell in output file)
index=2441; %(index of cell O90, obs 6, not including header cell in output file)

After loading the .mat files, one index is selected, and the following code may be using in MATLAB:

total_cells=50001; %(total models cells output, including extra (source) cell)
gas=DDMT_DG;
time=DDMT_t;
for ii=1:(length(gas)-1)/total_cells
    gas_DDMT(ii)=gas(index+1+total_cells*(ii-1)); 
    t_DDMT(ii)=time((total_cells)*ii)/(60*60*24*365.25);
end
plot(t_DDMT,gas_DDMT)