Adsorption equilibrium of light hydrocarbon mixtures by Monte Carlo simulation

F. W. Tavares, V. F. Cabral, M. Castier

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The procedure presented by Cabral et al. (2003) was used to predict the adsorption of multicomponent mixtures of methane, ethane, propane, and n-butane adsorbed on Silicalite S-115 at 300 K. The methodology employed uses the algorithm of molecular simulation for the grand canonical ensemble as an equation of state for the adsorbed phase. The adsorbent surface is modeled as a two-dimensional lattice in which solid heterogeneity is represented by of two kinds of sites with different adsorption energies. In all cases presented, the simulations described well the adsorption characteristics of the systems.

Original languageEnglish
Pages (from-to)597-610
Number of pages14
JournalBrazilian Journal of Chemical Engineering
Volume24
Issue number4
Publication statusPublished - Oct 2007
Externally publishedYes

Fingerprint

Hydrocarbons
Adsorption
Propane
Ethane
Methane
Butane
Equations of state
Adsorbents
Monte Carlo simulation

Keywords

  • Adsorption
  • Monte carlo simulation
  • Multicomponent mixtures

ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this

Adsorption equilibrium of light hydrocarbon mixtures by Monte Carlo simulation. / Tavares, F. W.; Cabral, V. F.; Castier, M.

In: Brazilian Journal of Chemical Engineering, Vol. 24, No. 4, 10.2007, p. 597-610.

Research output: Contribution to journalArticle

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