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Updated: May 29, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Master equation for a chemical wave front with perturbation of local equilibrium
P Dziekan1, A Lemarchand, B Nowakowski
1Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland.
Abstract:
In order to develop a stochastic description of gaseous reaction-diffusion systems, which includes a reaction-induced departure from local equilibrium, we derive a modified expression of the master equation from analytical calculations based on the Boltzmann equation. We apply the method to a chemical wave front of Fisher-Kolmogorov-Petrovsky-Piskunov type, whose propagation speed is known to be sensitive to small perturbations. The results of the modified master equation are compared successfully with microscopic simulations of the particle dynamics using the direct simulation Monte Carlo method. The modified master equation constitutes an efficient tool at the mesoscopic scale, which incorporates the nonequilibrium effect without need of determining the particle velocity distribution function.
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