cmutsvangwa Water quality &Treatment: Dept pf civil & water eng.

, nust

28/09/2006

2B-1

Chapter 2B Stream pollution Application of the advection and dispersion equation, and the convective equation

Fate processes are the physical, chemical and biological processes that control the fate of the water quality parameters. The fate of pollutants is the resultant interactions between mass transfer and kinetic processes (James, 1993). Among the fate processes present, transport and transformation processes also exist. All the transport processes are based on the Conservation of Mass Balance Equation (MBE).

Mass Balance Equation (MBE)

The MBE is a quantitative description of all materials that enter, leave, and accumulate in a system with defined boundaries (i.e. a stationary volume of fixed dimensions called the control volume). The equation is based on the law of conservation of mass which states that mass is neither created nor destroyed and it is governed by numerous assumptions like: The stream under consideration is spatially uniform meaning that the discharge, cross sectional area and mixing properties of it do not vary. Steady flow conditions applies i.e. velocity and volume of water remains constant with time. Only inflows and outflows in the x-direction are considered and by so doing, it implies that solute concentrations only vary in the downstream (x) direction and its mass is uniformly distributed over the streams cross sectional area (Fischer et al, 1979).

However, there are some pollutants whose concentration gradually changes as they move through the environment and these pollutants will only change by the physical transport phenomena like advection and dispersion and there are referred to as conservative substances. Conservative substances are used as tracers in the calibration and validation of water quality models. A chosen control volume with terms for materials entering, leaving, generated and being accumulated within the volume is set up as shown on Fig 1. If a balance on the species A over the small differential volume , is considered as shown on Fig.1, then the amount of material being accumulated must be equal to the amount of material entering minus the amount leaving plus the amount generated. This is represented as shown in equation 1. 1
Chapter 2B: Advection-dispersion equations

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rate of rate of rate of accumulation rate of flow of mass flow of mass mass generation + .(1) of mass within = int o the control out of the within the the control volume control volume control volume volume

Accumulation

Inflow

Outflow

Generation . ..

(2)

Z
(QC A ) z + z

y
(QC A ) y

(QCA ) x

(QC A ) x + x

z
X
(QC A ) y + y

x
(QCA ) z
Y Fig 1: Definition sketch for Materials Balance analysis
Source: Tchobanoglous and Schroeder, (1985), Water Quality Management

Assuming that dispersion and diffusion are negligible and using rA to indicate the mass rate of generation of A within the control volume, equation 1 can be quantitatively written symbolically as:
C A = (QC A ) x + (QC A ) y + (QC A ) z (QC A ) x + x (QC A ) y + y (QC A ) z + z + rA t

(3)

Accumulation Where:

Inflow

Outflow

Generation

= volume, m3 CA = mass concentration of A, gm-3 Q = volumetric flow rate in one direction, m3/s 2

Chapter 2B: Advection-dispersion equations

cmutsvangwa Water quality &Treatment: Dept pf civil & water eng., nust

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rA = mass rate generation, g/m3.s Remembering that, Qx = vx y z , Qy = v y x z ,

. . . . . . . . . . . . . . . . . . . . . (.4)

Qz = vz x y
Where: vx, vy, and vz = velocity in x, y and z directions respectively.
0

Taking the limit, lim x ,,z , equation 3 becomes: y

v y C A vz C A v C C A + = x A + + rA . . . . . . . . . . . . . . . . . .. (5) z y t x
For a one dimensional flow, equation becomes:

C A v C = x A + rA t x

(6)

The mass rate of generation can be positive. Most of the materials of interest like oxygen disappears, leaving rA being negative in most cases. A pollutant entering the environment becomes partitioned between a series of subsystems, within each of which its concentration may increase or decrease due to a wide variety of mechanisms (James, 1993). Advection Process This refers to the bulk movement of the water which constitutes dissolved and suspended solutes. The advection process is derived from the mass balance equation that has been developed by considering the fluxes into the volume across a surface 1 and the fluxes out of the volume across surface 2 as shown on Fig. 2. From Fig 2, let the accumulation of mass be represented by: Accumulation of mass = Where: m = mass t = time Since mass is equal to the concentration times volume, and assuming a constant volume, the accumulation of mass becomes:

m m . . . . . . . . . .. . . . . . . . . . . = t t

(7)

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Accumulation = V Where:

C ............... ............... t

(8)

V = volume, [L 3] C = solute concentration, [M/L3]

q1
1 2

q2 = q1 +

q x x

x
Fig. 2: Infinitesimal unit control volume
Source: Singh, (1995), Environmental Hydrology

Mass in and out of the control volume is obtained by considering the flux of solute mass across the surfaces 1 and 2 as shown on Fig 2. The flux, q1, is defined as the mass solute crossing a unit area per unit time and q2 is equal to the flux coming into the control volume (q1) plus the change in flux through the control volume. Symbolically: Where:
q2 = q1 + q x . . . . . . . .. . . . . . . . . . . . . . . . . . . . x

(9)

x = length of the control volume, [L]

By considering the individual fluxes due to advection and dispersion, the advective flux into the control volume (across surface 1) equals the product of the advective velocity, U and the solute concentration at surface 1, C1. This is represented as: Flux In adv = q1 adv = UC1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . Where : U =advection velocity (10)

Employing equation 9, the advective flux out of the control volume (across surface 2) is then given by:

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Flux Out adv = q2 adv = UC2 = UC1 + U Where:

C x . . . . . . . . . . . . x C2 = solute concentration at surface 2

(11)

Dispersion Flux Dispersion flux is obtained from the theorem that mass flux due to molecular C diffusion is proportional to the concentration gradient, , and this flux is given by: x C .. ............................ (12) qdisp = DL x Where: DL = longitudinal dispersion coefficient, [L2/T]

Dispersive flux into and out of the control volume is thus given by:
Flux In disp = q1 disp = DL

C .................. ....... x 1

(13)

Flux Out disp = q2 disp

C C 2C = DL = DL + DL 2 x . . . . x 2 x 1 x

(14)

Combining equations (8), (10), (12), (13) and (14), a differential equation for the mass balance is obtained:

C C 2C C C x ADL AUC1 + AU ADL 2 x . (15) = AUC1 ADL x x 1 x t x 1

Acc. Where:

mass in

mass out

A = stream cross-sectional area, [L2]

Multiplying each flux by A to obtain the units of [M/T], the relation of volume equals area multiply by distance, is used implying that equation 14 simplifies to:

C C 2C =U + DL 2 . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . . (16) t x x
Equation 16 is called the Advection Dispersion Equation (ADE) with constant coefficients, U and DL. The ADE describes the spatial and temporal variation in

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solute concentration, C. The solution to equation 16 is solved by numerical methods, subject to numerous assumptions (Singh, 1995).

Solution of the Mass Balance Equation

The analytical solution to the Mass Balance Equation (MBE) equation 6: {

C A v C = x A + rA } can be solved in the following ways: t x

Finite Difference Method (FDM) By adopting the fully implicit scheme of the FDM, where = 1 , and considering the Forward Difference approach (FD) in the x-direction only: Expressions for the Forward Difference scheme are:

C A Ci , j +1 Ci , j ....................... = t t

(17)

C A Ci +1 Ci . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . (18) = x x

Substituting equations 17 and 18 into 6 and assuming that the generation, rA =0, (negligible) the expression for the FDM becomes:

Ci , j +1 Ci , j

C Ci = v x i +1 . . . . . . . . . . . . . . . . . . . . . . . . . . (19) x

Rearranging and simplifying equation 19 becomes:

Ci , j +1 Ci , j = vx

t t Ci . . . . . . . . . . . . . . . . . . . . . (20) Ci +1 + vx x x

By denoting, vx

t = , the equation 20 can be simplified to: x

(21)

Ci , j +1 Ci , j = Ci +1 + Ci . . . . . . . . . . . . . . . . . . . . . . . . . . .

The Difference equation (21), can be solved by constructing an m x n Global Matrix with the concentration of the solute, Ci,j+1 being the unknowns at any specified nodes of the spatial discretised length along the stream. Taking values of i= 2 to N, the Global Matrix of equation 21 is formed.

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Global Matrix

1 1 1 1 1 1

C2, j +1 C2, j C2 C3, j +1 C3, j C3 C C C 4 4 , j +1 4 , j = . . . . . .. . . (22) C N 2, j +1 C N 2, j C N 2 C N 1, j +1 C N 1, j C N 1 C N , j +1 C N +1 + C N , j C N

Assuming Dirichlet Boundary conditions, the upstream and downstream boundary conditions are as follows: C(x = 0, t = 0) = 200mg/l and C(x = L=120km) = 10mg/l. The Global matrix 22 can be solved by constructing a Tri-diagonal Banded Matrix defined by 2b+1, with the bandwidth b=1 as follows:

1 0 1 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . (23) 1 1 1
The Tri-diagonal m x 3 Matrix shown on 23 can only be solved by a computer program call. It is also possible to solve the Global Matrix 23 by defining the boundaries of specific descritised spatial length with the upstream and downstream boundary conditions known.

Solution to Advection Dispersion Equation (ADE)

C C 2C =U + DL 2 } is more simply solved by the Finite t x x Difference Method as shown:
The ADE (equation 6, The velocity, U and dispersion coefficients, DL are determined from experiments, and adopting the Fully implicit scheme and Forward Difference the ADE becomes:

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2B-8

2C Ci +1, j +1 2 Ci , j +1 + Ci 1, j +1 . . . . . . . . . . . . . . . . . . . . . . . . (24) x 2 x2 C Ci , j +1 Ci , j = . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . (25) t t C x =

Ci +1 Ci . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. (26) x

Substituting equation 24, 25; 26 into 6, and rearranging, the Finite Difference equation is as follows:

x2 + 2 DL DL Ci +1, j +1 DL Ci 1, j +1 = U x Ci +1 + U x Ci Ci , j +1 (27) t x2 + 2 DL = , and U x = the equation 27 can be simplified to: By denoting, t

Ci , j +1 DL Ci +1, j +1 DL Ci 1, j +1 = Ci +1 + Ci . . . . . . . . . . . . . .

(28)

The Difference equation (28), can be solved by constructing an m x n Global Matrix with the concentration of the solute, Ci,j+1 being the unknowns at any specified nodes of the spatial discretised length along the stream. Taking values of i= 2 to N, the Global Matrix of equation 28 is formed.

DL D L DL DL DL

C2, j +1 DLC1, j +1 C3 + C2 C3, j +1 DLC2, j +1 C4 + C3 D C C C5 + C4 4 , j +1 L 3 , j + 1 = C N 2, j +1 DLC N 3, j +1 C N 1 + C N 2 C N 1, j +1 DLC N 2, j +1 C N + C N 1 C N , j +1 DLC N +1, j +1 + DL C N 1, j +1 C N +1 + C N

(29) Assuming Dirichlet Boundary conditions, the upstream and downstream boundary conditions are as follows: C(x = 0, t = 0) = 200mg/l and C(x = L=120km) = 10mg/l.

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Chapter 2B: Advection-dispersion equations

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The Global matrix 29 for the Advection Dispersion Equation can be solved by constructing a Tri-diagonal Banded Matrix defined by 2b+1, with the bandwidth b=1 as follows:

DL 0 D DL L DL DL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .(30) DL DL D DL L DL DL
The Tri-diagonal m x 3 Matrix shown on 30 can only be solved by a computer program. It is also possible to solve the Global Matrix 30 by defining the boundaries of specific descritised spatial length with the upstream and downstream boundary conditions known.

Convective Diffusion Equation, (CDE)

However, the mechanism for the Advection process can also be explained and represented by the Convective Diffusion Equation, (CDE) (James, 1993). The Convective diffusion equation states that, the total mass of material entering into an element of space in a given time, must be equal to the increase in mass within the space in that time (James, 1993). Consider an infinitesimally small, box-like control volume, which represents an element of volume fixed in space relative to the Earth within a fluid system as shown on Fig 3 (Metcalf et al, 1991).

(C + dC ) (U + dU ) dydz CUdy dz

X dx Fig 3: Conservation of mass (Advection process) Source: Metcalf & Eddy, (1991), Wastewater Engineering

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cmutsvangwa Water quality &Treatment: Dept pf civil & water eng., nust

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2B-10

Masses of pollutants entering and leaving the control volume per unit time due to advection in the x-direction are considered. Rate of mass increase in control volume = Rate of mass entering control volume Rate of mass leaving control volume
C dx dy dz . .. . . . . . t

(31) (32)

= CU dy dz . . . . . . . ... . . . = (C +

C U dx )dy dz (33) dx ) (U + x x

Where: C = mass concentration of constituent, [M/L3] U = velocity of water in the x-direction, [L/T] dx, dy, dz = dimensions of control volume in the x, y, and z directions, [L] t = time, [T] Substituting the terms given in equation 1, and simplifying yields:
C C U C U =U C dx . . . . . . . . . . . . . . . . . . . . . . . . (34) t x x x x

By adding the contribution of flow components in the y and z directions and neglecting 2nd order terms, equation 34becomes:
C V C W U C C . . . . . . . . . (35) C W C V C = U y y z x x t z

Where: V and W = velocity components in the y and z directions respectively.

U V W + + = 0 . . . . . . . . . . (36) x y z For an incompressible fluid in steady or unsteady flow conditions, equation 35 becomes:

By applying the continuity equation,

C C C C . . . . . . . . . . . . . . . . . . . . . . . . . . . . . (37) W V = U z y x t

For a one-dimensional flow, equation becomes:

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Chapter 2B: Advection-dispersion equations

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C C = U t x i.e similar to equation (6)

(38)

The equation 38 defines the effect of advection on concentration changes with time in a water body (Metcalf et al, 1991). Although changes in density may be considered insignificant over the depths encountered in rivers, the concentration of salts or solutes in solutions or of solids in suspension may change rapidly over the stretch under consideration. Equation 38 assumes an existing concentration of a conservative substance in the fluid but in practice, the equation must be extended to include the source and sink terms for pollution discharges. Assuming that the material discharged is conservative and undergoes a 1st order decay, and including the source term, equation 38 becomes:

C C 1 C = kC + La . . . . . . . . . . . . . . EA +U t x Ax x
C C 2C +U E 2 = kC + La t x x

(39)

or

(40)

And,

La =

W . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . (41) Q + Qw

Where: La =source term k. =first order decal rate constant U =water velocity in the x-direction, m/d E =dispersion coefficient W = mass flux discharged, g/d Qw = effluent discharge, m3/d Q = fresh water discharge, m3/d A cross-sectional area. The partial differential equation 40 is solved to obtain particular solutions, which comply with the given initial, and boundary conditions. The initial conditions specify the values of La and C as functions of x along the stretch of interest at time, t=0. For the solution to closely approximate the specified conditions, boundaries must be chosen at sufficient distance from the stretch under consideration. Analytical Solutions to CDE The first form of analytical solution: -

Assumes a continuous and steady state discharge i.e.

C = 0. t

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Chapter 2B: Advection-dispersion equations

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Assumes a uniform flow and uniform cross-sectional area of the stretch. Assumes that the material being discharged does not significantly affect the flow in the river. It also assumes a 1st order decay term. No growth, i.e. La=0

From the assumptions stated, equation 40 becomes: 2C C E 2 U kC = 0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .(42) x x The steady state solution for this situation is given by:
C= w U exp [1 m] x . . . . . . . . . . . . . . . . . . . . . . . . . . . (43) AUm 2E

KE m = 1 + 4 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .(44) U The negative value of the exponent applies to the downstream of the discharge point and the positive value to the upstream of the discharge point. However, equation 42 can have several particular solutions depending on the different scenarios which it is subjected to:
And Scenario 1 The variation of the pollutant concentration C with distance from the discharge point x, moving with a velocity U is shown on Fig 4. C

C=

W AU

W E e C= AU
K=0 x 0 U Fig 4: Concentration Profile for K=0 Source: A. James, (1993), An introduction to Water Quality Modelling

Ux

It can be deduced from equation 25 that when K=0, the concentration at the discharge point is equal to W AU , which is defined as the rate of addition of the substance divided by the rate of flow in the river. The graph, Fig 4, shows that the

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concentration downstream of the outfall is constant and decreases exponentially upstream. Scenario 2 When E=0, equation 42 shows that there would be no upstream transport and downstream, the concentration decays from an initial value of W AU at the point of discharge governed by:
C= W Kx exp . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . (45) AU U

W e C= AU

kx U

E=0

U x Fig 5: Concentration profile for E=0 Source: A. James, (1993), An introduction to Water Quality Modelling, Scenario 3 When both E and K are non-zero, the initial concentration is given by C =W , and decays both upstream and downstream of the discharge AUm W kx point as shown on Fig 6. C = exp AU U C
W U exp (1 + m) x AU 2E W U exp (1 m) x AUm 2E

C=

C=

0 U x Fig 6: Concentration profile non-zero values

Source: A. James, (1993), An introduction to Water Quality Modelling

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In practice, the unidirectional nature of E, results in an insignificant transport of pollutants upstream of the discharge point and the initial concentration will be equal to W AU . This is because most dispersion is caused by velocity shear rather than turbulent eddies so that the upstream dispersion mechanism is much smaller than the downstream advection of the bulk water (James, 1993). Scenario 4 Another form of particular solution to equation 42 is the situation where W is an instantaneous conservative discharge, to a stream of uniform cross-sectional area. The release at t=0 and at x=0 produces a Gaussian concentration distribution with respect to x as shown on Fig 7 (James, 1993). U t=1 t=2 t=3

Fig 7 Gulp Injection Source: A. James, (1993), An introduction to Water Quality Modelling The solution to equation 42 will then become: x U t2 W exp C= 4 E t . . . . . . . . . .. . . . . . . . . . . . . . . . . . . (46) A 4Et Where: W = weight of conservative substance A = cross sectional area t = time x = distance downstream U = mean velocity E = dispersion coefficient

However, when there is no advection, e.g. if the discharge is into a canal, the solution is: x2 W exp C= . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . (47) A 4E t 4Et and the concentration profiles are shown on Fig 8.

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C t=1 t=2

t=3 x x=0 Fig 8: Concentration profile for a gulp injection in zero advection Source: A. James, (1993), An introduction to Water Quality Modelling The value of E can be obtained from experiments in which a slug tracer is injected into the river and the time concentration curve of the tracer is measured at two stations downstream of the injection point. E is then obtained from:
U 2 1 2 . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . . . (48) E= 2 t2 t1
2 2

Where: t1 and t2 12 and 2 2 U

= mean times of the passage of the tracer past each station. =Variances of the time concentration curves at stations 1 and 2. = mean velocity of flow between stations.

Numerical Solutions to CDE The Convective Diffusion Equation can be solved more conveniently by numerical methods like the Finite Difference Method (FDM) and the Finite Element Method (FEM). The numerical approach attempts to approximate the continuous solution at a discrete number of points in time and distance. Assuming a constant cross sectional area and a conservative pollutant (i.e. no decay), equation 40 becomes:

2C C C + E 2 + La . . . . . . . . . . . . . . . . .. . . . . . . . . . . (49) = U x u t
The solution of equation 49 may be approximated on a time and distance plane as shown on Fig 10. At each point in time, j rows, the concentration of the parameter of interest must be evaluated at each distance mesh point represented by the columns i. Sufficient distance mesh points are chosen for the solution in the stretch of interest to remain consistent despite any specified boundary conditions (James, 1993).

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Time P j+1 j

t
X Y Z

x
t=0 i-1 i i+1 Distance

Fig 9: FDM for solving the Convective-Diffusion Equation

Source: A. James, (1993), An introduction to Water Quality Modelling

Adopting the explicit scheme, equation 49 can be written in the form:

Ci , j +1 Ci , j

U E (Ci 1, j Ci , j ) + (Ci 1, j 2Ci , j + Ci +1, j ) + La . . . . . . (50) x x2

Where: La = concentration to be added to each mesh point at which a discharge takes place. The value of La is obtained from a mass balance of the effluent load and the river flow at the point of entry. Thus if E=0, equation 50 reduces to a purely advective equation. Precise results are obtained when the effluent discharge points coincide with the mesh points and if not the case, interpolation between adjacent mesh points has to be done.

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Chapter 2B: Advection-dispersion equations