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Reactor in Comsol

This document provides steps to solve a chemical reactor problem with mass transfer limitations using Comsol Multiphysics. It describes a reaction where the rate is determined by the concentration at the catalyst surface, not the bulk concentration. It gives the governing equations and boundary conditions. It then outlines the steps to set up the model in Comsol, including defining variables, inserting equations, solving it over a range of 0 to 2.4, and improving the initial guess for one variable to get a successful solution.

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168 views3 pages

Reactor in Comsol

This document provides steps to solve a chemical reactor problem with mass transfer limitations using Comsol Multiphysics. It describes a reaction where the rate is determined by the concentration at the catalyst surface, not the bulk concentration. It gives the governing equations and boundary conditions. It then outlines the steps to set up the model in Comsol, including defining variables, inserting equations, solving it over a range of 0 to 2.4, and improving the initial guess for one variable to get a successful solution.

Uploaded by

Anonymous C9K6yHNO2
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We take content rights seriously. If you suspect this is your content, claim it here.
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Solving

 Chemical  Reactors  with  Mass  Transfer  Limitations    


using  Comsol  Multiphysics  
 
Consider  the  problem  posed  on  page  1551:    a  chemical  reactor  with  mass  transfer  
limitations.  The  reaction  rate  is  determined  by  the  concentration  on  the  catalyst,  which  is  
different  from  the  concentration  in  the  bulk,  flowing  stream.  The  equations  are:  
 
dC 2 dC 2 dC
u A = −2ksCA,s , u B = 2ksCA,s u C =0
dz dz dz
km a(CA − CA,s ) = ksCA,s 2
 
CA (0) = 2, CB (0) = 0, CC (0) = 2
 
Step  1,  Begin:  Open  Comsol  Multiphysics  and  choose  the  0D  option,  right  arrow;  then  
Global  ODEs  and  DAEs  (ge)  (under  Mathematics/ODE  and  DAE  Interfaces);  then  right  
arrow  and  finally  Time  Dependent  and  the  Finish  flag.    
 
Step  2,  Prepare  the  Model:  Model  1  opens,  with  Global  ODEs  and  DAEs  (ge).  In  
Model/Definitions  right  click  and  choose  variables.  Insert  the  following  variables.  
 

 
 
The  surface  area  per  volume,  a,  is  included  in  the  variable  km.    
 
Then  in  Global  ODEs/Global  Equations,  insert  the  equations  as  follows.  Notice  that  the  
equations  one  must  solve  are  under  f(u,ut,utt,t),  and  the  term  there  is  what  must  be  zero.  
 
 
                                                                                                               
1  Bruce  A.  Finlayson,  Introduction  to  Chemical  Engineering  Computing,  2nd  ed.,  Wiley  

(2012);  ChemEComp.com  for  info,        Buy  Now    .  


 
 
 
 
Step  3,  Solve  the  Problem:  Open  Study  and  click  on  Step  1:  Time  Dependent.  The  default  
value  is  to  integrate  from  0  to  1  and  save  the  solution  every  0.1.  The  variable  is  time,  which  
is  a  stand-­‐in  for  distance,  z.  Change  this  to  go  from  0  to  2.4.  Right  click  on  Study  1  and  
choose  Compute.  The  problem  fails  to  finish.  If  you  open  Results/  1D  Plot  Group  1  you  see  
that  the  cas  starts  out  negative.  It  should  never  be  lower  than  zero.  
 
Step  4,  Use  a  better  guess  for  cas:  Change  the  initial  value  of  cas  to  1.  It  must  be  between  
0  and  ca,  which  is  2  at  the  inlet,  so  the  1  is  just  a  guess.    
 

 
 
Step  5,  Solve  the  Problem:  Right  click  on  Study  1  and  choose  Compute.  This  time  the  
solution  is  correct.  The  figure  is  similar  to  8.10  in  the  text,  with  the  addition  of  the  plot  for  
cas.  The  difference  between  ca  and  cas  shows  the  impact  of  the  mass  transfer  resistance.  
 
 
 

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