Boreskov Institute of Catalysis of the Siberian Branch of Russian ...

PP-I-2with lateral interaction energies ε , ε ε which possess the values 10; -10; 0 kJ/mol. AllAA AB,BBcalculations were carried out at T = 500 K. For these interaction energies sets the total numberof the steady states was found to be equal up to twelve [1]. All of the MF models possess thesame limitation: the adsorbed particle mobility is assumed to be infinite.The goal of the present work is the study of lateral interactions and finite mobility effecton the multiplicity of the steady states for Langmuir-Hinshelwood mechanism.The finite mobility of adsorbed species means that we have to use the Monte Carlomethod. We used a standard Metropolis algorithm. The diffusion describes in the same way asthe other processes. The lateral interaction energies were chosen as 10, 0, 10 kJ/molrespectively. The multiplicity diagrams obtained with Monte Carlo method are shown inFig. 1. The diagram (b) obtained for model with high mobility is in quality agreement withthat obtained with transfer matrix method. It is easily seen that mobility of the adsorbedparticles is an essential model parameter.In the framework of the microscopic model of non-ideal adsorbed overlayer the kineticalbehavior of the Langmuir-Hinshelwood mechanism was shown to become essentially morecomplex than for ideal overlayer [i]. The results obtained with Monte Carlo method is inagreement with the results obtained in the framework of MF model.References[i] Myshlyavtsev A.V., Myshlyavtseva M.D. Lateral interaction in the adsorption layer and critical phenomena inthe Langmuir – Hinshelwood reaction // Kinetics and Catalysis. – 2007. – V.48. – №4. – P. 541-549.215