Consider the problem of predicting the concentration of a reactant in an isothermal batch reactor, where the
Question:
Consider the problem of predicting the concentration of a reactant in an isothermal batch reactor, where the reaction kinetics is second order (non-linear problem). The reaction rate, r, is given by r = ky2, where k is the reaction rate constant (k = 1) and y is the concentration of the reactant. We have
By using the the implicit Euler method, yn+1 = yn + h f (xn+1, yn+1), and a time step of h = 0.1, we obtain, at the first time step,
As the value y1 is unknown we need to iterate, e.g. use the Newton method, to find the solution. Let us denote y1 = z and implement the Newton method to determine the solution at the first time step, t = 0.1. First we reformulate the non-linear equation to F(z) = 0; this gives
The Newton method to find a root of F(z) = 0 and with an initial guess, zi, is given by
Step by Step Answer:
Mathematical Modeling In Chemical Engineering
ISBN: 9781107049697
1st Edition
Authors: Anders Rasmuson, Bengt Andersson, Louise Olsson, Ronnie Andersson