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    Tubular Reactor: Mass Balance

    Uploaded by

    yohannes
    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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    Tubular Reactor: Mass Balance

    Uploaded by

    yohannes
    79 views21 pages
    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.

    Original Description:

    Tub React

    Original Title

    Tub React

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    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.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    79 views21 pages

    Tubular Reactor: Mass Balance

    Uploaded by

    yohannes
    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.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    of 21

    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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