# Presentation: 128332

## GCEContam

- A FORTRAN program for creating a 3-D T2VOC initial condition file (INCON)

## Simplified generation of INCON

- The program uses the ROCKS, ELEME, CHEMP, and RPCAP blocks to generate an initial condition consisting of gravity-capillary equilibrium with specified contaminated zones.
- Program uses only analytical solutions, and is very fast ~ a few seconds for tens of thousands of gridblocks

- Using the user specified water table elevation, the program computes the static gas pressure and water saturation above the water table, and the static water pressure below the water table.
- The program only uses the van Genucten (IRP=8) capillary function, and it assumes Leverett scaling for heterogeneous grids with permeability modifiers in the ELEME block
- The water and gas density are assumed to be constant with depth.
- Infiltration cannot be included with this approach

## Contaminated volumes may be added anywhere in the grid

- User specifies the centroid, radius, and thickness of any number of contaminated cylindrical volumes, using the soil mass fraction for contaminant concentration (mg/kg)
- The cylinders may overlap, in which case the contamination is additive.
- Any concentration level may be specified up to a maximum corresponding to 100% NAPL saturation.

- The contamination level in each cylinder may be positively or negatively correlated with permeability, using permeability modifiers in the ELEME block.
- The code does a flash calculation to determine the presence or absence of NAPL, based on the chemical and porous media properties and conditions.
- If NAPL is present, the code calculates Sn, and assigns the correct primary variables depending on whether or not the element is above or below the water table
- If NAPL is not present, the code calculates the equilibrium chemical mole fraction in the water (below the water table) or the chemical gas mole fraction (above the water table)

## Input and Output

- The input file consists of the T2VOC input file with a few lines added at the top
- This program then generates a fully formatted INCON file called INCON.gce
- This new INCON.gce file may be renamed INCON, or it may be pasted into the T2VOC input file

## Input Variables

**Line 1:**  gselev, wtelev, temp, patm, iunits
- Format (4e10.4,i1)
*Gselev=ground surface elevation (m or ft)*
*Wtelev=water table elevation (m or ft)*
*Temp=ambient temperatue (**o**C)*
*Patm=atmospheric pressure  (Pascals)*
*Iunits=0 for meters; 1 for feet*

## Input Variables

**Line 2:**  ncyl
- Format (i2)
*ncyl=number of contaminated cylinder*
**Lines 3 and on:**  for n=1, ncyl read the following line
- xcyl(n), ycyl(n), zcyl(n), radius(n), thick(n), cmassf(n), expcorr(n)
- Format(7e10.4)

*xcyl(n), ycyl(n), zcyl(n)=coordinates of the center of the contaminated cylinder*
*radius(n)=the radius of the cylinder from xcyl(n), ycyl(n)*
* **thick(n)=the total thickness of the cylinder, centered at zcyl(n)*
* **cmassf(n)=contaminant soil mass fraction in mg/kg on a dry weight basis*
*expcorr(n)=exponent used to correlate mass fraction with permeability.  X=X**ave***(ratio)**expcorr(n) where “ratio” is the ratio of the element permeability to the average ROCKS block value for that element (the permeability modifier in ELEME).*

## Example 1:  2-D, r-z, homogeneous case

- 288 elements (18x16), 0 to 78 m in r-direction; 0 to –15 m in z-direction
- Water table located at z=-6.0 m; atmospheric pressure is 101325 Pa; temperature is 22 oC
- Contaminated with toluene at 10,000 mg/kg in a cylinder centered at r=0, z=-6.0, with a radius of 5 m and a thickness of 7 m

-  0.0       -6.0      22.0     101325.0 0
-  1
-       0.0       0.0      -6.       5.0       7.0    10000.0     0.
- *toluene spill in unsaturated zone  falta 4/9/95
- ROCKS----1----*----2----*----3----*----4----*----5----*----6----*----7----*----8
- sand1    1     2650.      .370   2.0e-11   2.0e-11   2.0e-11       3.1     1000.
-      0.e-8        0.      2.85       0.0
- atmos    2     2650.      .370   1.0e-11   1.0e-11   1.0e-11       3.1     1000.
-      0.e-8        0.      2.85       0.0
-     6           .150       .05      .001        3.
-     8          0.000      1.84    1.e+10    1.e+10
- clay1    2     2650.      .370   1.0e-15   1.0e-15   1.0e-15       3.1     1000.
-      0.e-8        0.      2.85       0.0
-     6           .350       .25      .001        3.
-     8          0.300      3.40      1.0     1.1
- CHEMP----1-Toluene-2----*----3----*----4----*----5----*----6----*----7----*----8
-      591.8      41.0     0.263     0.263       0.4
-      383.8  -7.28607   1.38091  -2.83433  -2.79168
-     92.141-.2435E+020.5125E+00-.2765E-030.4911E-07
-       867.    293.00 0.880E-05    303.10      1.41
- -.5878E+010.1287E+040.4575E-02-.4499E-05     316.0
-  0.101E-03 0.000E+00 0.000E+00 0.000E+00
-  0.273E+00     0.000
- START----1----*----2----*----3----*----4----*----5----*----6----*----7----*----8
- MULTI----1----*----2----*----3----*----4----*----5----*----6----*----7----*----8
-     3    3    3    6
- ----*----1 MOP: 123456789*123456789*1234 ---*----5----*----6----*----7----*----8
- PARAM----1----*----2----*----3----*----4----*----5----*----6----*----7----*----8
-    1 220     220 00000 0010002 4 0103000   2.13E-5
-            3.156e+07     1000.          AB  1         9.8060
-      1.E-5     1.E00
-             1.0433e5                50.0                 22.0
- RPCAP----1----*----2----*----3----*----4----*----5----*----6----*----7----*----8
-     6           .150       .10     .001        3.
-     8          0.100      1.80       10.       11.
- TIMES----1---------2---------3---------4---------5---------6---------7---------8
-     3
-   2.59e+06  7.78e+06  1.578e+7
- ELEME ---
- A2  1              10.7772E+000.0000E+00          0.2755E+00          -.5000E+00

## Example 2, large 3-D layered system 

- 3-D system with 14,873 elements
- Layered geology with 12 rock types
- Ground surface elevation is 371 ft., water table is located at 236 ft., bottom of grid is at 150 ft.
- 8 contaminated zones with different levels of PCE
- GCEcontam run time is about 3 seconds

- 371.      236.0       20.       1.010e51
-  8
- .32000E+03.43600E+04.33833E+03       50.        5.    10000.
- .32000E+03.43600E+04.20800E+03       50.        4.      100.
- .32000E+03.43600E+04.28500E+03       50.        5.     5000.
- .32000E+03.43000E+04.33833E+03       40.       20.    10000.
- .25000E+03.43000E+04.27033E+03       30.       20.     1000.
- .25000E+03.44000E+04.17000E+03      100.       20.     2000.
- .40000E+03.43000E+04.19000E+03       50.       30.       50.
- .40000E+03.44000E+04.33833E+03       50.        5.    20000.
- *******test gcecontam **** falta 9/6/00
- *.3-D field scale steam flooding SST-SRS: A 8/28/00 5pm rons version equal steam
- in dus 7,8,9; add steam to1,2,3,4,5,6; change dul10 to const. vol., fix mve loc*
- and fix steam rates , new Geology + TC * Master Thesis Steffen Ochs 2000*
- includes staggered steam injection, and dus 123 into layers 6 and 7 only
- ROCKS----1----*----2----*----3----*----4----*----5----*----6----*----7----*----8
- WEL      2     2650.       .99    1.0E-8    1.0E-8    1.0E-8       2.7     800.0
-         0.        0.      0.60       0.0
-     6            0.1      0.05     0.001        2.
-     8            0.1       1.4     2.419     1.705
- ATM      2     2650.       .99    1.0E-8    1.0E-8    1.0E-8       2.7     800.0
-         0.        0.      0.60       0.0
-     6           0.55      0.25     0.001        2.
-     9
- HU1      2     2650.       .40   3.3E-14   3.3E-14   4.0E-15       2.7     800.0
-         0.        0.      0.60       0.0        .0    0.0005
-     6           0.25      0.05     0.001        2.
-     8           0.25       1.3     0.484     0.341

**Notes:**
371.     236.0       20.      1.010e51
 8
.32000E+03.43600E+04.33833E+03       50.        5.    10000.
.32000E+03.43600E+04.20800E+03       50.        4.      100.
.32000E+03.43600E+04.28500E+03       50.        5.     5000.
.32000E+03.43000E+04.33833E+03       40.       20.    10000.
.25000E+03.43000E+04.27033E+03       30.       20.     1000.
.25000E+03.44000E+04.17000E+03      100.       20.     2000.
.40000E+03.43000E+04.19000E+03       50.       30.       50.
.40000E+03.44000E+04.33833E+03       50.        5.    20000.
*******test gcecontam **** falta 9/6/00
*.3-D field scale steam flooding SST-SRS: A 8/28/00 5pm rons version equal steam 
in dus 7,8,9; add steam to1,2,3,4,5,6; change dul10 to const. vol., fix mve loc*
and fix steam rates , new Geology + TC * Master Thesis Steffen Ochs 2000*
includes staggered steam injection, and dus 123 into layers 6 and 7 only
ROCKS----1----*----2----*----3----*----4----*----5----*----6----*----7----*----8
WEL      2     2650.       .99    1.0E-8    1.0E-8    1.0E-8       2.7     800.0
        0.        0.      0.60       0.0
    6            0.1      0.05     0.001        2.
    8            0.1       1.4     2.419     1.705 
ATM      2     2650.       .99    1.0E-8    1.0E-8    1.0E-8       2.7     800.0
        0.        0.      0.60       0.0
    6           0.55      0.25     0.001        2.
    9
HU1      2     2650.       .40   3.3E-14   3.3E-14   4.0E-15       2.7     800.0
        0.        0.      0.60       0.0        .0    0.0005
    6           0.25      0.05     0.001        2.
    8           0.25       1.3     0.484     0.341 
HU2      2     2650.       .40   3.3E-13   3.3E-13   4.0E-14       2.7     800.0
        0.        0.      0.60       0.0        .0    0.0005
    6           0.25      0.05     0.001        2.
    8           0.25       1.3     0.484     0.341 
HU21     2     2650.       .40  1.65E-12  1.65E-12   2.0E-13       2.7     800.0
        0.        0.      0.60       0.0        .0    0.0005
    6            0.2      0.05     0.001        2.
    8            0.2       1.3     1.452     1.023 
HU3      2     2650.       .40   3.5E-13   3.5E-13   2.0E-14       2.7     800.0
        0.        0.      0.60       0.0        .0    0.0005
    6            0.2      0.05     0.001        2.
    8            0.2       1.3     1.452     1.023 

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## Example 3, large 3-D heterogeneous system 

- 3-D system with 10400 elements
- Spatially correlated random heterogeneity field with different permeability in each gridblock
- Ground surface elevation is 15 m, water table is located at 8 m, bottom of grid is at 0 m.
- 1 contaminated zone with the PCE mass fraction linearly correlated to intrinsic permeability
- GCEcontam run time is about 3 seconds

- 15.0       8.0      20.0        101300.00
-  1
-       15.0      15.0       3.5       5.0       7.0    2000.0     1.
- **Falta 3/15/01 5pm - positive correlation PCE cylinder,
- ** water flood for 200y SRS aquifer k  ******
- * now using lower gradient of only .004
- *
- ROCKS----1----*----2----*----3----*----4----*----5----*----6----*----7----*----8
- WEL      2     2650.       .99    1.0E-8    1.0E-8    1.0E-8       2.7     800.0
-        0.0       0.0      0.60       0.0
-     6            0.1      0.05     0.001       2.0
-     8            0.1       1.7     4.839     3.409
- ATM      2     2650.       .99    1.0E-8    1.0E-8    1.0E-8       2.7     800.0
-         0.        0.      0.60       0.0
-     6           0.55      0.25     0.001       2.0
-     9
- A1       2     2650.       .35   2.0E-12   2.0E-12   2.0E-13       2.7     800.0
-         0.        0.      0.60       0.0        .0    0.0005
-     6            0.2      0.10     0.001       2.0
-     8            0.2       1.4     2.419     1.705
- A2       2     2650.       .35   2.0E-12   2.0E-12   2.0E-13       2.7     800.0
-         0.        0.      0.60       0.0        .0    0.0005
-     6            0.2      0.10     0.001       2.0
-     8            0.2       1.4     2.419     1.705
- CHEMP----1----*--PCE data----3----*----4----*----5----*----6----*----7----*----8
-      620.2      47.6     0.250     0.000       0.0

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