Computer simulation damped oscillation

The transient behavior of the reactor for finite perturbations was studied by computer simulation of Eqs (1.1)-(1.4). The curves 1 and 2 in the Fig. 6 demonstrate the transition from the lower stable state to stabilized intermediate one after beginning of the proportional control operation at C = 0. The curve 1 corresponds to the case of ideal control (f =0). The curve 2 corresponds to nonideal control with parameters d and Cj corresponding to the stability domain in Fig, 5 One can see that the curve 1 is monotonous and the curve 2 is not monotonous. In the case of nonideal control the damping oscillations of concentration and temperature near the intermediate steady values take place with the amplitude being dependent on the time lag value. The curve 3 corresponds to the case when the point (, d) belongs to the... 

For standard problems in the physics and chemistry of condensed matter, such as simple fluids containing rare gas atoms or diatomic molecules, etc., computer simulation considers a small region of matter in full atomistic detail. " For example, for a simple fluid it often is sufficient to simulate a small box containing of the order of 10 atoms, which interact with each other with chemically realistic forces. These methods work because simple fluids are homogeneous on a scale of 10 A already the oscillations in the pair distribution function then are damped out under most circumstances. Also reliable models for the effective forces are usually available from quantum chemistry methods. 

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