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Contaminant Transport
Mechanisms and Principles
BASIC DEFINITIONS
Ground surface
Contaminant concentrations:
Cs mg/kg solid
Solid ↔ water = Kd =
Cw mg/L water
Kd = partition coefficient
H’ is dimensionless
H’ = H/RT
R = gas constant = 8.20575 x 10-5 atm m3/mol °K
T = temperature in °K
NOTE ON SOIL GAS CONCENTRATION
Gas volume, Vg
Void volume, VV
Water volume, VW
Total volume, VT
Solid volume, VS
VOLUME-RELATED PROPERTIES
Bulk density = ρb = mass of solids
total volume
Porosity = n = θ = VV/VT
Volumetric water content or
water-filled porosity = θW = VW/VT
Saturation = S = VW/VV
Gas-filled porosity = θg (or θa) = Vg/VT
θW + θg = n
CONTAMINANT CONCENTRATION
IN SOIL
Q = KiA
K = hydraulic conductivity
i = hydraulic gradient = dh/dL
A = cross-sectional area
Velocity of ground-water movement
u = Q / n A = q / n = K i / n = average linear velocity
n A = area through which ground water flows
q = Q / A = Darcy seepage velocity = Specific discharge
For transport, n is ne, effective porosity
ADVECTIVE FLUX
∂C ∂C
JD = − τ DO n = −D*n
∂x ∂x
τ = tortuosity factor
D* = effective diffusion coefficient
C
B
C
B
A A
∂C
JM = −DM n
∂x
Dispersion coefficient, DM = αL u
Significant longitudinal
dispersion, but limited
lateral dispersion
OBSERVED BROMIDE PLUME –
VERTICAL VIEW
DH = D* + DM = τ DO + αL u
= hydrodynamic dispersion
TRANSPORT EQUATION
Change in
contaminant Flux in less Sources and
mass with flux out of sinks due to
time REV reactions
∂C T (1)
= −∇•J ± S/S
∂t
∂C T ∂J
= − ± S/S (2)
∂t ∂x
TRANSPORT EQUATION
CT = total mass (dissolved mass plus mass adsorbed to
solid) per unit volume
= ρb CS + n CW = ρb CS + n C (3)
Note: W subscript dropped for convenience and for
Consistency with conventional notation
∂C ∂C ∂ C 2
(ρbK d + n) = −nu + nDH 2 (5)
∂t ∂x ∂x
∂C u ∂C DH ∂ C
2
=− + (6)
∂t ρ
⎛ b dK + n ρ
⎞ ∂x ⎛ b d K + n ⎞ ∂x 2
⎜ ⎟ ⎜ ⎟
⎝ n ⎠ ⎝ n ⎠
TRANSPORT EQUATION
“Retardation factor”, Rd
ρbK d + n ρbK d (7)
= 1+ = Rd
n n
Substituting Equation 7 into Equation 6:
∂C u ∂ C DH ∂ C 2
(8)
=− +
∂t R d ∂x R d ∂x 2
Effect of adsorption to solids is an apparent slowing of transport
of dissolved contaminants
Both u and DH are slowed
SOLUTION OF TRANSPORT EQUATION
x-a x+a
[
[
Relative Concentration C/C0 1.0
0.8
0.6
0.4
0.2
0.0
t1 t2 t0
Spreading of a solute slug with time due to diffusion. A slug of solute was
injected into the aquifer at time t with a resulting initial concentration of C0 .
0
Mean
0.2
0.16
0.1
0.0 x
+s s
x = ut/Rd
10
9 C0 = 10
u=1
8 DH = 0.1
Rd = 1
Concentration, C(x,t)
7
t=1 t=3 t=5
6 ut = 1 ut = 3 ut = 5
5
0
0 1 2 3 4 5 6 7 8 9
Distance, x
Moving front of contaminant from constant source
Effect of dispersion coefficient
Effect of Rd on moving front of contaminant
Effect of retardation
10
9 C0 = 10
t=3 t=3 u=1
8 ut = 3 ut = 3 DH = 0.1
Rd = 2 Rd = 1
Concentration, C(x,t)
0
0 1 2 3 4 5 6 7 8 9
Distance, x
1-D SOLUTIONS
.
[ [ ( (
.
2
1-D C= M exp - (x-vt) C = M erfc
x-vt
C= M ( for x > 0 (
. 1/2 1/2
2np t D x 4Dxt 2nv 2 Dx t nv
M, M are instantaneous
or continuous plane
sources x=0 v x=0 v x=0 v
M
M to ∞
L2
t=0 t = t1
.
M
M 2 Mass Front at Mass
L T
input here time t input here
Adapted from: Hemond, H. F. and E. J. Fechner-Levy. Chemical Fate and Transport in the Environment.
2nd ed. San Diego: Academic Press, 2000.
2-D SOLUTIONS
. 2-D
M, M are instantaneous
or continuous line
C= M exp
4np t Dx Dy [
(x-vt)2 y2
+
4Dx t 4Dy t [ C= M
.
4np 1/2 (vr)1/2 Dy [ [ ( (
exp (x-r)v erfc r-vt
2D x 2 Dx t
C=
1/2
2np (vr)
.
M
1/2
Dy [ [
exp (x-r)v
2D x
sources
M [[
M
L t=0
y
t =
v
t1
y
v
Plume at time t
y
v
.
[ [
M x x to ∞
M x
L-T
Adapted from: Hemond, H. F. and E. J. Fechner-Levy. Chemical Fate and Transport in the Environment.
2nd ed. San Diego: Academic Press, 2000.
3-D SOLUTIONS
Transport of a Conservative Substance from Pulse and Continuous Sources
. 3-D
M, M are instantaneous
C=
8np 3/2 3/2
t
M
Dx Dy D z
C=
.
M
8np r DyD z [ [ ( (
exp (x-r)v erfc r-vt
2D x 2 Dx t
C= M
.
4np r DyD z [ [
exp (x-r)v
2D x
[ [
or continuous point (x-vt)2 y2 z2
sources exp - + +
4Dx t 4Dy t 4Dz t
M [[
M
L
v z y z y v
. v
[ [
M z y
M
T
x
to ∞
t=0 t = t1 Plume at time t
Adapted from: Hemond, H. F. and E. J. Fechner-Levy. Chemical Fate and Transport in the Environment.
2nd ed. San Diego: Academic Press, 2000.