MASTER EQUATION AND MOLECULAR-DYNAMICS SIMULATIONS OF EXCITABILITY INA MODEL CHEMICAL-SYSTEM

Authors
NOWAKOWSKI B GORECKI J KAWCZYNSKI AL
Citation
B. Nowakowski et al., MASTER EQUATION AND MOLECULAR-DYNAMICS SIMULATIONS OF EXCITABILITY INA MODEL CHEMICAL-SYSTEM, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(37), 1998, pp. 7250-7256
Citations number
17
Categorie Soggetti
Chemistry Physical
Journal title
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory → ACNP
ISSN journal
10895639
Volume
102
Issue
37
Year of publication
1998
Pages
7250 - 7256
Database
ISI
SICI code
1089-5639(1998)102:37<7250:MEAMSO>2.0.ZU;2-V
Abstract
We study the influence of internal fluctuations on a simple but realis tic model of a chemical system in an excitable regime. Numerical simul ations of the master equation are compared with results of molecular d ynamics simulations. We show that internal fluctuations are able to ex cite the system, which is initially at a stable stationary state. The dependence of escape time on the system's volume is studied. We observ e that correlations of fluctuations in concentrations do not depend on the volume and the results of both simulation methods are in excellen t agreement.