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Tubular reactor
  Simulates the reactions in an isothermal tubular reactor, A → B → C, the system of 3 ODE's being integrated by the simple Euler method.
2025.Feb.19 21:04:50
k1, inf, k2, inf min−1 Arrhenius equations' constants.
E1, E2 kcal / kmol Activation energies. •
c  mol / L Initial concentrations. •
T K Temperature. •
tf min Reaction time (final).
Delta_t, dt min Print step, integration step.
Show values Shows the values of the graph coordinates.
 Simulates (in Fortran 90) the chemical reactions.pdf in an isothermal tubular reactor, A → B → C.  The system of 3 ODE's is integrated numerically by the simple Euler method. (Sample of Fortran 90 programming, without the graph.)  Why Fortran ?
 The problem involves 3 components and 2 reactions.  This type of problem is not easy to generalize, only certain data being reasonably alterable.  (This example is little robust to T, the range 320–360 being suggested.)
 The required maximal yield of B (ie., c2) at 10 min, which is 0.6738 for T = 339.8 K (with a small 'dt'), results from posterior optimization.
References: Plate: Tubreac

• Robinson, E. R., 1975, "Time Dependent Chemical Processes", Applied Science Publishers, London. (ISBN 0-85334-608-9, p 133.)

• Buescu, Jorge, 2003, "Da falsificação de euros aos pequenos mundos", ed. Gradiva, Lisboa. (ISBN 972-662-898-9, p 127.)

 
 
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Created: 2003-05-10 — Last modified: 2023-01-02