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Tubular Reactor: Mass Balance

This document describes a tubular reactor model. It presents the mass balance equations for the reactor, including terms for reaction, diffusion and convection. It discusses non-dimensionalizing the model equations using parameters like the Peclet and Damkohler numbers. It describes discretizing the model equations in space using methods like centered and backward finite differences. It also presents the model for dynamic simulations, which results in a system of nonlinear ordinary differential equations after discretizing in space and time. It outlines two assignments - the first solves the steady-state model for varying Peclet numbers, and the second solves the dynamic model from t=0 to t=5.

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yohannes
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147 views21 pages

Tubular Reactor: Mass Balance

This document describes a tubular reactor model. It presents the mass balance equations for the reactor, including terms for reaction, diffusion and convection. It discusses non-dimensionalizing the model equations using parameters like the Peclet and Damkohler numbers. It describes discretizing the model equations in space using methods like centered and backward finite differences. It also presents the model for dynamic simulations, which results in a system of nonlinear ordinary differential equations after discretizing in space and time. It outlines two assignments - the first solves the steady-state model for varying Peclet numbers, and the second solves the dynamic model from t=0 to t=5.

Uploaded by

yohannes
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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Tubular Reactor

Mass balance:
Reaction

Diffusion Advection/Convection

Boundary conditions:

(Danckwerts)
Numerical Methods for Chemical Engineers 1
Tubular Reactor

Mass balance:

Non-dimensionalization:

Numerical Methods for Chemical Engineers 2


Tubular Reactor

Mass balance:

Non-dimensionalization:

Numerical Methods for Chemical Engineers 3


Tubular Reactor

Mass balance:

Peclet number:

Damkhler number:
Numerical Methods for Chemical Engineers 4
Tubular Reactor

Mass balance:

Steady state tubular reactor

Numerical Methods for Chemical Engineers 5


Tubular Reactor

Discretize in space

Numerical Methods for Chemical Engineers 6


Tubular Reactor

Discretize in space

Numerical Methods for Chemical Engineers 7


Tubular Reactor
Centered Finite Difference Backward Finite Difference

Discretize in space

Numerical Methods for Chemical Engineers 8


Tubular Reactor

Boundary conditions!

Discretize in space

Numerical Methods for Chemical Engineers 9


Tubular Reactor

Discretize in space

Numerical Methods for Chemical Engineers 10


Tubular Reactor

Ghost point Ghost point


Discretize in space

Numerical Methods for Chemical Engineers 11


Tubular Reactor

System of nonlinear equations!!!

Numerical Methods for Chemical Engineers 12


Assignment 1
1. Solve the steady state tubular reactor for 20 different Peclet
numbers (between 0.01 and 100) and for a first (n=1) and a second
(n=2) order reaction. Use a Damkhler number of unity.
Complete the template rhs.m by implementing the non-linear
equations to solve
2. Plot the conversion at the end of the reactor vs. the
Peclet number for both reaction orders
Also plot the ratio between the conversions of the first order and
second order reaction
What is better for these reactions, a lot of back-mixing (Pe small,

CSTR) or ideal plug flow (Pe large, PFR)?


What influence does the reaction order have overall and at low or
high Peclet numbers?
Complete the template TubReact_steady_state.m
Numerical Methods for Chemical Engineers 13
Tubular Reactor

Mass balance:
Reaction

Diffusion Advection/Convection

Boundary conditions:
Numerical Methods for Chemical Engineers 14
Tubular Reactor

Mass balance:

Dynamic tubular reactor


Boundary conditions:

Numerical Methods for Chemical Engineers 15


Tubular Reactor

Discretize in space

Numerical Methods for Chemical Engineers 16


Tubular Reactor

ODEs

Discretize in space

Numerical Methods for Chemical Engineers 17


Tubular Reactor
ODEs

Ghost point Ghost point


Discretize in space

Numerical Methods for Chemical Engineers 18


Time index Tubular Reactor Order of reaction

E.g. Explicit Euler, But in general ver stiff

Discretize in time

Numerical Methods for Chemical Engineers 19


Tubular Reactor

System of nonlinear ODEs!!!


Stiff...
Numerical Methods for Chemical Engineers 20
Assignment 2
1.Solve the dynamic tubular reactor from initial 0
to final time of 5 with MATLABs ode23s
Use the rhs.m from assignment 1 and the
template TubReact_dynamic.m
Consider only a first order reaction with Pe=100
and Da=1
2.Plot the conversion at the end of the reactor vs.
dimensionless time
3.At what time does the solution reach a steady
state, i.e. how many reactor volumes of solvent
will you need?
Numerical Methods for Chemical Engineers 21

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