Monte Carlo study of adsorption of additive gas mixture
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The monolayer adsorption of binary gas mixture on a square lattice has been investigated through grand canonical Monte Carlo method and transfer matrix technique. Repulsive and attractive lateral interactions have been introduced between the adsorbed particles for one component of the gas mixture and for another, respectively, at the same time the particles of different components of the gas mixture have not interacted. The model has been studied in the ground state and at finite temperatures. Interesting features of the phase behavior of the gas mixture adlayer were observed and discussed. The model shows that a simultaneous increasing of the chemical potentials of both gas components can lead to displacing of particles of one component on the surfaces by particles of another component.
KeywordsBinary mixtures adsorption Adsorption isotherm Surface thermodynamic Monte Carlo
This study was supported by the Ministry of Education and Science of the Russian Federation on a budget-funded basis for 2014–2016 (Project No. 16.2413.2014/К).
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