Using the interaction parameters up to the third neighbors and activated form of 0 and CO diffusion and their reaction, the model has been proposed for Monte-Carlo simulations describing the catalytic O + CO -> CO2 reaction and occurring phase transitions on Pd(1 1 1) surface. Upon adsorption of CO the pre-adsorbed oxygen transforms from p(2 x 2)(O) phase into root 3 x root 3R30 degrees(O) and root 3 x root 3R30 degrees(O) -> p(2 x 1)(O) phases in the limit of room and moderate temperatures, respectively. We demonstrate that the kinetic effects determine both the occurrence of the p(2 x 1)(O) and disappearance of the root 3 x root 3R30 degrees(O) phases at moderate and low temperatures, respectively. Using reaction rate as a fit parameter, we show that at room temperature the start of the reaction can be synchronized with the occurrence of root 3 x root 3R30 degrees(O) phase. (c) 2005 Elsevier B.V. All rights reserved.