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RESEARCH PRODUCT
Reply to "comment on 'Monte Carlo simulations for a Lotka-type model with reactant surface diffusion and interactions' ".
V. N. KuzovkovG. ZvejnieksG. Zvejniekssubject
Surface diffusionMonte Carlo methodMaster equationCluster (physics)State (functional analysis)Statistical physicsType (model theory)Diffusion (business)Random walkMathematicsdescription
As is well known, a wide class of physical problems, including the kinetics of heterogeneous catalytic reactions, is traditionally described in terms of the master equations ~ME!. The definition of ME allows us not only to perform Monte Carlo ~MC! simulations, but also to develop at the same time appropriate analytical methods @mean field~MF!, cluster approximations, etc. #@ 1#. ME is formally defined when all possible states of a system and the transition rates between these states are specified. This is enough to define only the transition rates K(i! j ) for such elementary processes as particle adsorption, desorption, diffusion, reaction, etc., from the initial state i to the final state j. ME is a purely axiomatic theory, e.g., the actual form of the transition rates K(i! j ) is completely arbitrary. When neglecting adsorbateadsorbate lateral interaction ~AALI!, various MC methods have to give ~and indeed they give! essentially the same reaction kinetics ~if we neglect unavoidable fluctuation effects!. For illustration, the MC methods used in Refs. @2,3# differ from one another as considerably as standard random walks differ from continuous-time random walks @4#. However, both methods give the equivalent kinetics @5# when
year | journal | country | edition | language |
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2002-02-15 | Physical review. E, Statistical, nonlinear, and soft matter physics |