Dispersion Model

Suppose a reaction A B takes place in a plug flow reactor of Length L (m) in which fluid
velocity is U (m/s). Since A is continuously consumed, its concentration decreases steadily with
axial position in the reactor.
The existence of a gradient in the concentration of A gives rise to a diffusive motion of A from
the reactor inlet to outlet.
The performance of the reactor specifically the reactant conversion attainable for a given feed
and reactor volume differs from that which would be predicted by assuming ideal plug flow
(negligible diffusion), with the magnitude of the difference depending upon the relative rates of
diffusion and convection (bulk motion).
To visualize the effect of diffusion on reactor behaviour, we do tracer experiments. Shortly after
injection, the tracer is contained in a relatively small volume. If the reactor is in ideal plug flow,
the tracer could then moves through the reactor without distortion, and emerges in a burst to give
the characteristic ideal PFR impulse response.
However, if diffusion does take place, the tracer spreads away from the center of the tracer cloud
in both the upstream and downstream directions.
The response depends on the length of the reactor, the mean fluid velocity, and the rate of
diffusion. The responses which are measured for reactors of increasing length are shown bleow.
The spreading in the tracer cloud or distribution of tracer molecule residence times in the reactor
is a consequence of molecular diffusion, and also of turbulent mixing, if the Reynolds number
exceeds a critical value. In addition, a non-uniform velocity profile causes different portions of
the tracer cloud to move at different rates, which also results in a spreading of the measured
response at the reactor outlet.
The term dispersion is used to denote the combined action of all phenomena diffusion and
non-uniform velocities which give rise to a distribution of residence times in a reactor. The
term backmixing is also used frequently.
The Model Equation:

According to Ficks law, the rate of diffusion of a substance A is proportional to the negative of
the concentration gradient of A. In any tubular reactor, reactant depletion and non-uniform flow
velocity profiles give rise to concentration gradients, and hence diffusion, in both axial and radial
directions. In addition, in turbulent flow eddy transport takes place, tending to level out gradients
in all directions to an even greater extent than molecular diffusion.
A reactor model which accurately reflects these phenomena is difficult to derive. What is often
done instead is to model the reactor by considering the following two assumptions.
1) The reactor is in plug flow (but not ideal plug flow); radial uniformities are presumed to exist
and the process fluid moves through the reactor at a uniform velocity, U equal to the mean
velocity of the fluid in the reactor.
2) Dispersion occurs in the axial direction
To derive the model equation, let us consider the figure below, a cross section of a dispersed
plug flow reactor at steady-state.
The rate at which A traverses the cross section is the sum of the rate at which it is carried through
by the convective (bulk) flow of the fluid, plus the rate at which it passes through by dispersion.
where
is the area of cross section and
is the effective dispersion coefficient.
The steady-state material balance on reactant A in the reactor may be derived by considering a
differential element from to
. See the figure below.
By dividing with
and as
approaches zero, the above equation becomes:
Once we know the boundary conditions, the solution to the above Equation will give the outlet
concentrationtime curves.
Balance Equations
A mole balance is taken on a particular component of the mixture (say, species A) over a short
length
of a tubular reactor of cross section . It gives the following equation.
By substituting
For first order reaction:
In dimensionless form by taking
The equation becomes:
where Da = Damkohler number

Pe = Peclet number
Da = Damkohler number = k C0n-1

For first order: Da = k
where is the characteristic length term. We can call

reactor length L, for the characteristic length, so
as the reactor Peclet number; it uses the

.
Boundary Conditions
There are two cases that we need to consider: boundary conditions for closed vessels and open
vessels. In the case of closed-closed vessels, we assume that there is no dispersion or radial
variation in concentration either upstream (closed) or downstream (closed) of the reaction
section; hence this is a closed-closed vessel. In an open vessel, dispersion occurs both upstream
(open) and downstream (open) of the reaction section; hence this is an open-open vessel.
Closed Closed Vessel Boundary Condition

For a closed closed vessel, we have plug flow (no dispersion) to the immediate left of the
entrance line and to the immediate right of the exit. The boundary conditions are:
At
At
The above two boundary conditions are known as Danckwerts boundary conditions. By writing
the above boundary conditions in dimensionless form, we have:
By substituting the above boundary conditions in the dispersion reaction balance equation for
first order reaction, we can obtain equation for conversion.
Where
Da = k (first order reaction)

is calculated from the following relation:
Where
is the mean residence time, which can be calculated by doing tracer experiments.
Open Open Vessel Boundary Condition

For open open system there is continuity of flux at the boundaries. The boundary conditions
are:
At
At
is calculated from the following relation:
Note: Practice the following problem from your text book (Elements of Chemical Reaction
Engineering by Scott Fogler) for tanks-in-series model and Dispersion model.
Example 14 1 from the 3rd edn. of the above said book.
Or
Example 14 2 from the 4th edn. of the above said book.
Two Parameter Model

III. Two parameter models:
CSTR with Bypass and Dead Zone

A real CSTR is modeled as an ideal CSTR of volume VS, a
dead zone of volume Vd and a bypass with a volumetric
flow rate of vb.
RTD obtained from a tracer experiment - to evaluate the
parameters of the model Vs and vb
As the total volume and volumetric flow rate are known,
once VS, and vS are found Vd and vb can be calculated.
Real
Model
The bypass stream and effluent stream from the reactor

are mixed at point 2.
From a balance on species A at (2):
CA0 vb + CAS vS = CA (vb + vS)
In = Out
CA
vbC A0 C AS vS vbC A0 C AS vS
vb vS
v0
C A C A0 (1 )C AS
where, = vb/v0
For a I order reaction, a mole balance on V S

Rate of A in = Rate of A out + Rate f dispp. of A
CA0 vS - CAS vS - k CAS VS = 0
C AS
C A0 (1 )v0
(1 )v0 Vk
where, = VS/V
Combining equations for CA and CAS:

CA
(1 ) 2
1 x
C A0
(1 ) k
The model has two parameters and . If these

parameters are known conversion can be calculated
How to calculate the model parameters ?
Tracer balance for step input:
In = Out + Accumulation
vS CT0 vS CTS = VS dCTS/dt
For step input:
At t < 0
CT = 0;
t 0 CT = CT0
A balance around (2): CT vbCT 0 CTS vS

v0
Integrating: vS CT0 vS CTS = VS dCTS/dt

1
CTS
1 exp
CT 0
Combining the above two equations:

1 t
CT
1 (1 ) exp

CT 0

1 t
CTo
1
ln
ln

CT 0 CT
1
From the plot the model parameters can be found.

Note: Practice the following problem from your text book (Elements of Chemical Reaction
Engineering by Scott Fogler) for Two-Parameter model.
Example 14 2 from the 3rd edn. of the above said book.
Or
Example 14 4 from the 4th edn. of the above said book.

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Suppose a reaction A B takes place in a plug flow reactor of Length L (m) in which fluid

The Model Equation:

is the area of cross section and

is the effective dispersion coefficient.

approaches zero, the above equation becomes:

For first order reaction:

In dimensionless form by taking

The equation becomes:

where Da = Damkohler number

Da = Damkohler number = k C0n-1

where is the characteristic length term. We can call

as the reactor Peclet number; it uses the

Closed Closed Vessel Boundary Condition

Da = k (first order reaction)

Open Open Vessel Boundary Condition

is calculated from the following relation:

Two Parameter Model

CSTR with Bypass and Dead Zone

The bypass stream and effluent stream from the reactor

For a I order reaction, a mole balance on V S

Combining equations for CA and CAS:

The model has two parameters and . If these

For step input:

A balance around (2): CT vbCT 0 CTS vS

Integrating: vS CT0 vS CTS = VS dCTS/dt

Combining the above two equations:

From the plot the model parameters can be found.

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