Two  Dimensional Pseudohomogeneous Model:

The 1 D models neglect the resistance to heat and mass transfer in the radial direction
and consequently predict uniform temperatures and conversions in a cross  section of
a fixed bed reactor. This is an oversimplification when reactions with large heat effects
are carried out in a fixed  bed catalytic reactor. So, one needs to have a 2  D pseudo-
homogeneous model that predicts the temperature and conversion as a function of rad-
ial and axial distances.

1
 Fixed bed catalytic reactor
internal tube radius
us
Rt
r
r

catalytic particles of
average diameter, d p
CA CA0 z 0 z z  z
T T0
p  p0
 mol  z L
FA0  
 s 

2
Here, a fixed bed catalytic reactor in tubular form is considered. Feed enters the
reactor with superficial velocity us and is assumed to remain invariant with z 
in the flow direction. Furthermore, it is assumed that the steady  state situation
prevails.
The mass and thermal energy transport in the axial direction is assumed by
convective, plug flow with the superficial velocity, us , being invariant with regard
to the radial distance. Transport of a chemical species being consumed or produ-
ced along r direction is assumed to take place via effective dispersion mechanism
in the radial direction. Also, thermal energy transport along the radial direction is
assumed to take place via the effective thermal machanism for heat transfer.

3
 Apply mole balance for a component, A, over the cylindrical, spatial element shown.
 us 2 r r CA z  us 2 r r CA z z
 (z  direction)
(in) (out)
   CA     CA   
  2 r  z De r      2 r  z De r s   r   
 
s
  r  r     r r 
(in) (out) ( r  direction)

  2 r z  r B rA  0 (1)

 

volume of the element

4
  kg 
where  B solid catalyst bed density  e.g. 3  .
 mr 
 kmol 
rA consumption rate of A via a chemical reaction  e.g. .
 s  kg cata. 
D 
er s effective mass diffusivity (m 2s  1 ) ( De r ); is assumed constant here.
 bed void fraction. The mass diffusivity Der s is based on the superficial
fluid velocity whereas Der is based on the interstitial fluid velocity.

5
Divide by the volume:  2 r r  z  of the spatial element to obtain from (1):
 us 2 r r CA z z  CA z  
 
 2 r r  z 
  C   CA   


 2 z  De r s   r
A

 r  r r
  r r   
  r  

2 r r  z    B rA 0
 
 
 
C  CA z 
  us lim  A z z 
z  0
 z 
 C   CA  
 r
A
   r r  

 D er s
lim
 r  r r   r 
  B rA 0
r r  0 r

6
 CA Der s    CA  
 us  r     B rA 0
z r r   r  
D 
er s  CA
1   r
 2C A 
 u
CA
  B rA 0
r  r 2 
r 
s
z

 2CA 1 CA 
Der s  r 2  r r   us CzA   B rA 0 (2)
 
Apply thermal energy balance over the spatial element shown:
us 2 r r   g c p T  Tref  z  us 2 r r   g c p T  Tref  z z 
(in) (out)

("sensible thermal energy transport via plug convective flow")



7
  T   T 
 2 r z  er     2 r  z  er   
  r r   r  r r
(in) (out)

 transport of thermal energy along r  direction 

 via effective thermal mechanism 
 

  2 r z  r  B rA  H  0 (steady state) (3)

 thermal energy production (H   #) or 

 consumption (H   #) via an exothermic 
 
 or endothermic reaction 
 

8
where  g gas density, c p gas heat capacity, Tref reference temp. ( T0 (temp.
of the feed reactant mixture) or some other temp. at which H of , j  standard
enthalpies of formation of chemical species from their elements  are given
in thermodynamic books), er effective thermal conductivity for thermal
 J 
transport along r  direction in the reactor bed   .
 m s K 

Divide Eq. (3) by the volume of the spatial element,  2 r z  r  :

us 2 r r   g c p   T  Tref  z z  T  Tref  z 


2 r r  z
  T   T  
 r    r r  

2 z  er    r  r r   r 
  B rA  H  0
2 zr  r

9
  T  Tref   T  Tref  z 
 us  g c p lim  z z

z  0
 z 
  T   T  
r    r r  
  r  r r  r
 er lim    B  H  rA 0
r r  0  r 
 
 
 er   T 
  us  g c p T  Tref   r    B  H  rA 0
z r r  r 
er   T  T
 r  u  c   B  H  rA 0
r r  r 
s g p
z

10
 er  T   T   T
 1   r    u  c
s g p   B  H  rA 0
r  r r  r   z

 2T 1 T  T
er  2    u  c
s g p   B  H  rA 0 (4)
 r r r  z
In the derivation of Eq. (4); er , us ,  g , c p have been assumed constant.
To solve Eqs. (2) and (4), the boundary conditions are:
At z 0 :
CA CA0 , T T0 ; for 0 r Rt (5a,b)
At any z (i.e.; 0  z L) :
CA 
at r 0, 0 
r
 (5c,d)
CA 
r Rt , 0 
r 

11
 T
at r 0, 0 (5e)
r
 T 
at r  Rt ,   er   w TR  Tw  (5f)
 r 
 r Rt 

( tube radius )  T  
   w TR  Tw  (5g)
 r  er
 r Rt 

( bed temp. at the location, r  Rt ) ( tube wall temp.)

Note that the effective transport of the chemical species A, and thermal energy trans-
port in the axial direction has been assumed negligible relative to the effective trans-
port along the radial direction. Equations (2) and (4) can be solved using a numerical
procedure such as the Crank  Nicholson procedure [Froment, G. F., Chem, Eng. Sci.,
7,29 (1962); Ind. Eng. Chem., 59 (2), 18 (1967).]

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