Consider the problem of predicting the concentration of a reactant in an isothermal batch reactor, where the

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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 havedy dt |y(0) = 1, t = [0, 1]. = f(t, y) = r = -y,

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,Y = yo - hy?.

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 givesF(z)=z-yo + hz = z - 1+0.1z = 0.

The Newton method to find a root of F(z) = 0 and with an initial guess, zi, is given byZi+1 = Zi F(Zi) FI(Z) for i= 0, 1, 2....

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Related Book For  answer-question

Mathematical Modeling In Chemical Engineering

ISBN: 9781107049697

1st Edition

Authors: Anders Rasmuson, Bengt Andersson, Louise Olsson, Ronnie Andersson

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