title: Effect of Pt and Sn on the adsorption of n-heptane in gamma-Al2O3 catalyst models.
abstract: The Grand Canonical Monte-Carlo (GCMC) method has been used to carry out simulations of the adsorption of n-heptane in models of naphtha-reforming catalysts. Models used in the study differed in the number and distribution of metal atoms-Pt and Sn. The number of adsorbed n-heptane molecules grows linearly with increasing number of metal atoms. The effect of Pt content on the adsorption of n-heptane molecules is most distinct at approximately 100 kPa and within the lower range of the temperatures investigated. In the models of bimetallic catalysts, the effect of the two metals is additive. [Figure: see text]. Effect of Pt and Sn on number of n-heptane molecules adsorbed in Al2O3 catalyst in 773 K and 1000 kPa.
authors.affiliation: Institute of Chemistry and Technology of Petroleum and Coal, ul. Gdańska 7/9, 50-344, Wrocław, Poland. sbart@pwr.wroc.pl
authors.forename: Bartłomiej
authors.initials: B
authors.lastname: Szyja
authors.forename: Jerzy
authors.initials: J
authors.lastname: Szczygieł
authors.forename: Iwona
authors.initials: I
authors.lastname: Tymków
mesh_terms: D000327:Adsorption; D000537:Aluminum Oxide / Q000737:chemistry*; D002384:Catalysis; D004058:Diffusion; D006536:Heptanes / Q000737:chemistry*; D008956:Models, Chemical; D015394:Molecular Structure; D009010:Monte Carlo Method; D010984:Platinum / Q000737:chemistry*; D011312:Pressure; D013696:Temperature; D014001:Tin / Q000737:chemistry*
chemical_list: D006536:Heptanes; C028618:n-heptane; D010984:Platinum; D014001:Tin; D000537:Aluminum Oxide