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Studies on the Method of Orthogonal

Collocation VII: An Efficient Collocation
Method for Diffusion-Convection Problems
with Chemical Reaction

Saleth Causil Durango

Master in chemical engineering

Advanced mathematics
Universidad de Antioquia

May 10, 2019

 Studies on the Method of Orthogonal Collocation 2

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Reference
 Studies on the Method of Orthogonal Collocation 3

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Introduction

- Spatial gradients of species

moving with time.
- Transient heat conduction
- Material diffusion in simple
and complicated geometries.
- Convection-diffusion-reaction
problems in chemical reactors

- Finite difference.
- Finite element.
- Weighted residuals
 Studies on the Method of Orthogonal Collocation 4

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Theory/calculation

Tubular reactor with axial dispersion [reaction-diffusion-convection model]

The orthogonal collocation The collocation method.

method. Approximates the solution to the differential
To transform the partial differential equations by a linear combination of basis
equations into a set of algebraic functions
equations
 Studies on the Method of Orthogonal Collocation 5

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Model of the reaction system

Neumann-Robbins conditions
 Studies on the Method of Orthogonal Collocation 6

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Model of the reaction system

Neumann-Robbins conditions
 Studies on the Method of Orthogonal Collocation 7

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Model of the reaction system

Neumann-Robbins conditions
 Studies on the Method of Orthogonal Collocation 8

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Model of the reaction system

Dirichlet-Neumann condition
 Studies on the Method of Orthogonal Collocation 9

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Discussion and Conclusions

Fig. 1. Concentration profiles for the first-order

reaction with k=2, Pe=1000 for (a)N=l, NN=2,
(b)N=2, NN=4,(c)N=4, NN=8.
 Studies on the Method of Orthogonal Collocation 10

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Discussion and Conclusions

Fig. 2. Concentration profiles for the second-

order reaction with k=2, Pe=1000 for (a)N=l,
NN=2, (b)N=2, NN=4,(c)N=4, NN=8.
 Studies on the Method of Orthogonal Collocation 11

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Discussion and Conclusions

Fig. 3. Concentration profiles for the zero-order

reaction with k=2, Pe=1000 for (a)N=l, NN=2,
(b)N=2, NN=4,(c)N=4, NN=8.
 Studies on the Method of Orthogonal Collocation 12

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Discussion and Conclusions

Fig. 4. Concentration profiles for the second-

order reaction with k=2, Pe=1000 for (a)N=l,
NN=2, (b)N=2, NN=4.
 Studies on the Method of Orthogonal Collocation 13

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Discussion and Conclusions

Fig. 5. Concentration profiles for the first-order

reaction with k=2, Pe=1000 for (a)N=l, NN=2,
(b)N=2, NN=4.
 Studies on the Method of Orthogonal Collocation 14

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Discussion and Conclusions

Fig. 6. Concentration profiles for the zero-order

reaction with k=2, Pe=1000 for (a)N=l, NN=2,
(b)N=2, NN=4.
 Studies on the Method of Orthogonal Collocation 15

Studies on the Method of Orthogonal Collocation VII: An Efficient

Collocation Method for Diffusion-Convection Problems with Chemical
Reaction.
Case study - Discussion and Conclusions

Fig. 7. Concentration profiles for the zero-order

reaction with k=2, Pe=10 for (a)N=l, NN=2,
(b)N=2, NN=4.
Particle Swarm Optimization 16