The Solution of the Axial Dispersion Model

August 24, 2010

In Reaction Engineering the solution of boundary value problems is carried out when dealing with tubular reactors in turbulent ow. The equation that represents the axial dispersion of a reacting mixture is given by (Nauman [2001]):
uS dCi d2 Ci = DL + Ri dx dx2

(1)

Where uS is the supercial velocity of the reacting mixture, Ci is the concentration of the reactant or product, x is any point along the axial position within reactor, DL is known as the axial dispersion coecient and Ri is the reaction rate (a general sign convention establishes Ri for reactants and Ri for products). The reactor represents the change in concentration of any reactant or product along the reactor from x = 0 to x = L where L represents the total length of the reactor. The solution of this reactor model satises the closed type boundary conditions:
Ci0 = Ci DL dCi uS dx
at the inlet,

x = +0

(2) (3)

dCi =0 dx

at the outlet,

x=L

Where Ci0 is the initial concentration of any product or reactant. If the rst boundary condition is carefully analyzed, the model predicts a change of reactant concentration created by the dispersion coecient. By convenience the initial reactant concentration of i and length of reactor are used to yield a dimensionless equation when:
vi = Ci ; Ci0 z= x L

(4)

Thus the axial dispersion model is given by the following expression:

dvi DL d2 vi Ri L = + dz uS L dz 2 Ci0 uS

(5)
Ci0 Ci ), Equation 5 Ci0

When conversion is preferred as independent variable (conversion is dened as Xi = can be modied by making dvi = dXi which yields to
d 2 vi = Pe dz 2 dvi Ri L + dz Ci0 uS

(6)
uS L . The boundary conditions were DL

A dimensional number known as the Peclet number is dened as P e = 1

also scaled and given in terms of conversion to produce:

dvi = P e vi dz dvi =0 dz
at the inlet,

z = +0

(7) (8)

at the outlet,

z=1

The form of Equation 6 is easier to solve because while concentration of the reactant have a wider range, conversion is always 0.0 Xi 1.0 which narrows the guess for the solution of the problem. Because the integration routine only allows the solution of rst-order dierential equations a substitution of the term of conversion of the form y1 = vi and y2 = dvi /dz = vi produced a simplied set of rst-order dierential equations:
y1 = y2 Ri L Ci0 uS

(9) (10)

y2 = NP e,L y2 +

Problem statement

Find the outlet concentration of the reactant for a rst order reaction Ri = kCi0 (1 Xi ) (where k is the kinetic constant) in a tubular reactor governed by the axial dispersion model. Reaction conditions: P e = 16.0, kL = k t = 2.0 and Ci0 = 1.0. (The problem was taken from the book Chemical Reactor Design, Optimization, uS and Scaleup by E. B. Nauman, page 338). Solution. For a rst order reaction there is an analytical solution given by:
Cout = C i0 4p (1 + p)2 exp pP e 2 Pe 2 (1 p)2 exp pP e 2 kt Pe

where

p=

1+

(11)

The concentration and conversion evaluated analytically at x = L are Cout = 0.16394626702609519 and Xout = 0.83605373297390484.

References
E. B. Nauman.
Chemical Reactor Design, Optimization, and Scaleup

. McGraw-Hill, 2001.