GCEContam

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GCEContam

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

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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

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• 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 (IRP8)
  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

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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.

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• 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)

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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

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Input Variables

• Line 1 gselev, wtelev, temp, patm, iunits
• Format (4e10.4,i1)
• Gselevground surface elevation (m or ft)
• Wtelevwater table elevation (m or ft)
• Tempambient temperatue (oC)
• Patmatmospheric pressure (Pascals)
• Iunits0 for meters 1 for feet

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Input Variables

• Line 2 ncyl
• Format (i2)
• ncylnumber of contaminated cylinder
• Lines 3 and on for n1, ncyl read the following
  line
• xcyl(n), ycyl(n), zcyl(n), radius(n), thick(n),
  cmassf(n), expcorr(n)
• Format(7e10.4)

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• 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. XXave(ratio)expco
  rr(n) where ratio is the ratio of the element
  permeability to the average ROCKS block value for
  that element (the permeability modifier in
  ELEME).

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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 r0, z-6.0, with a radius
  of 5 m and a thickness of 7 m

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• 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.e10
  1.e10
• 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

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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

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371. 236.0 20. 1.010e51
8 .32000E03.43600E04.33833E03 50.
5. 10000. .32000E03.43600E04.20800E03
50. 4. 100. .32000E03.43600E04.28500
E03 50. 5. 5000. .32000E03.4300
0E04.33833E03 40. 20.
10000. .25000E03.43000E04.27033E03 30.
20. 1000. .25000E03.44000E04.17000E03
100. 20. 2000. .40000E03.43000E04.
19000E03 50. 30.
50. .40000E03.44000E04.33833E03 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
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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

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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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