Convergence computations

Figure 10.12 Time to convergence computed for different values of p. Convergence is considerably faster if successive over-relaxation is used.

Construction. Once a converged computer simulation is available, construction of an x-y diagram is far easier than constructing one from scratch. Many computer simulations provide the option of plotting an x-y diagram, If this option is unavailable, the following sequence of steps can be followed ... 

Techaiqnes for speeding up a converged computer solution are given by Holland. 0 The jnpal-ouipul information for the Lewis-Madieson method is listed in Table 5.3-1. 

Besides the number of the neighbouring it is important to take the type of the neighbouring atom into account in order to reach the convergence. Computational modelling of zeolites show that the numerical values of the Brdnslcd acid site properties arc influenced not only by the number of neighbouring atoms, but also by their nature [11-12]. 

H. M. Kvamsdal, T. Hertzberger, Optimization of PSA systems - studies on cyclic steady state convergence, Computers and Chemical Engineering. 21 (1997) 819-832. 

Upon convergence, compute optimal values of continuous decision variables. 

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