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gas phase transport

Gas Phase Transport

VLEACH, A One-Dimensional Finite Difference Vadose Zone Leaching Model, Version 2.2 – 1997. United States Environmental Protection Agency, Office of Research and Development, National Risk Management Research Laboratory, Subsurface Protection and Remediation Division, Ada, Oklahoma.

Šimůnek, J., M. Šejna, and M.T. van Genuchten. 1998. The HYDRUS-1D software package for simulating the one-dimensional movement of water, heat, and multiple solutes in variably-saturated media. Version 2.0, IGWMC - TPS - 70, International Ground Water Modeling Center, Colorado School of Mines, Golden, Colorado, 202pp., 1998.

Principal Sources:

effective diffusion
Effective Diffusion
  • Tortuosity (T = Lpath/L) and percolation (2D)
total mass
Total Mass
  • At Equilibrium:
henry s law
Henry’s Law
  • Dimensionless:
  • Common:

atm m3 mol-1

vleach
VLEACH
  • VLEACH simulates vertical transport by advection in the liquid phase and by gaseous diffusion in the vapor phase
vleach1
VLEACH
  • VLEACH describes the movement of solutes within and between three different phases:
    • solute dissolved in water
    • gas in the vapor phase
    • adsorbed compound in the solid phase
  • Equilibration between phases based on distribution coefficients
slide11
Processes are conceptualized as occurring in a number of distinct, user-defined polygons that are vertically divided into a series of user-defined cells
voronoi polygons diagram
Voronoi Polygons/Diagram
  • Voronoi_polygons
    • close(\'all\')
    • clear(\'all\')
    • axis equal
    • x = rand(1,100); y = rand(1,100);
    • voronoi(x,y)
slide14
The polygons may differ in soil properties, recharge rate, and depth to water
  • However, within each polygon homogeneous conditions are assumed except for contaminant concentration, which can vary between layered cells
  • Hence, VLEACH can account for heterogeneities laterally but does not simulate vertical heterogeneity
  • During each time step the migration of the contaminant within and between vertically adjacent cells is calculated
chemical parameters
Chemical Parameters
  • Organic Carbon Partition Coefficient (Koc) = 100 ml/g
  • Henry’s Law Constant (KH) = 0.4 (Dimensionless)
  • Free Air Diffusion Coefficient (Dair) = 0.7 m2/day
  • Aqueous Solubility Limit (Csol) = 1100 mg/l
soil parameters
Soil Parameters
  • Bulk Density (rb) = 1.6 g/ml
  • Porosity (f) = 0.4
  • Volumetric Water Content (q) = 0.3
  • Fraction Organic Carbon Content (foc) = 0.005
environmental parameters
Environmental Parameters
  • Recharge Rate (q) = 1 ft/yr
  • Concentration of TCE in Recharge Water = 0 mg/l
  • Concentration of TCE in Atmospheric Air = 0 mg/l
  • Concentration of TCE at the Water Table = 0 mg/l
computational parameters
Computational Parameters
  • Length of Simulation Period (STIME) = 500 years
  • Time Step (DELT) = 10 years
  • Time Interval for Writing to .OUT file (PTIME) = 100 yrs
  • Time Interval for Writing to .PRF file (PRTIME) = 250 yrs
  • Size of a Cell (DELZ) = 1.0 ft
  • Number of Cells (NCELL) = 50
  • Number of Polygons (NPOLY) = 1
dispersion
Dispersion!
  • Dispersivity is implicit in the cell size (Dl) and equal to Dl/2 (Bear 1972)
  • Numerical dispersion but can be used appropriately
dispersion1
Dispersion

M.C. Sukop. 2001. Dispersion in VLEACH and similar models. Ground Water 39, No. 6, 953-954.

hydrus1
Hydrus
  • Solves
    • Richards’ Equation
    • Fickian solute transport
    • Sequential first order decay reactions
governing equation
Governing Equation

Provide linkage with preceding members of the chain

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