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Microscopic simulation of chemical oscillations in homogeneous systems (1990)

Baras, F. ; Pearson, J. E. ; Mansour, M. Malek

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 93 (1990), S. 5747-5750

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: A microscopic computer experiment is set up to investigate the statistical properties of far from equilibrium homogeneous chemical systems undergoing instabilities. Sustained periodic behavior of limit cycle type is observed. Both the frequency and the amplitude of the oscillations are found to be in good agreement with the macroscopic description. A comparison with the stochastic theory of chemical systems based on master equation formalism is also carried out. The dynamical and static correlation functions obtained by these two procedures are in very good agreement.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.459568

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