Nonstandard reaction kinetics: microscopic simulations of system with product removal Original Research Article

We perform Monte Carlo microscopic simulations of reactive gas system in which products are removed. The chemical reaction induces deformation of the equilibrium particle velocity distribution which in turn results in perturbation of reaction kinetics. The nonequilibrium corrections to the standard chemical kinetics are deduced from the Monte Carlo simulations. For reactions sufficiently slow, the results of the simulations confirm the theoretical predictions obtained from the perturbation solution of the Boltzmann equation. The simulations are also used to examine the range of convergence of the perturbation solution for fast reactions with low activation energies. The reason for the difference between the results for reaction with products neglected or included is discussed.