Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 27th March 2019 from 11:00 AM to 1:00 PM (GMT).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 5, 2015
Previous Article Next Article

The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study

Author affiliations

Abstract

The adsorption of binary mixtures with non-additive lateral interactions has been studied through grand canonical Monte Carlo simulations in the framework of the lattice-gas model. The traditional assumption of additive lateral interactions is replaced with a more general one including non-pairwise interactions. It is assumed that the energy linking a certain atom with any of its nearest neighbors strongly depends on the state of occupancy in the first coordination sphere of such an adatom. The process has been monitored through the adsorption isotherms and the differential heats of adsorption. Different combinations of both inter- and intra-species interactions have been considered in the analysis. Interesting behaviors were observed and discussed in terms of the low temperature phases formed in the system.

Graphical abstract: The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study

Back to tab navigation

Publication details

The article was received on 30 Sep 2014, accepted on 01 Dec 2014 and first published on 16 Dec 2014


Article type: Paper
DOI: 10.1039/C4CP04428B
Citation: Phys. Chem. Chem. Phys., 2015,17, 3050-3058

  •   Request permissions

    The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study

    O. A. Pinto, P. M. Pasinetti, A. J. Ramirez-Pastor and F. D. Nieto, Phys. Chem. Chem. Phys., 2015, 17, 3050
    DOI: 10.1039/C4CP04428B

Search articles by author

Spotlight

Advertisements