Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation
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 eq...
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Brazilian Society of Chemical Engineering
2007-12-01
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| Series: | Brazilian Journal of Chemical Engineering |
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| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322007000400012 |
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doaj-ba5797b7b7504013a1620ace7a2a91e12020-11-24T21:29:48ZengBrazilian Society of Chemical EngineeringBrazilian Journal of Chemical Engineering0104-66321678-43832007-12-0124459761010.1590/S0104-66322007000400012Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulationV. F. CabralM. CastierF. W. TavaresThe 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.http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322007000400012AdsorptionMulticomponent mixturesMonte Carlo simulation |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
V. F. Cabral M. Castier F. W. Tavares |
| spellingShingle |
V. F. Cabral M. Castier F. W. Tavares Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation Brazilian Journal of Chemical Engineering Adsorption Multicomponent mixtures Monte Carlo simulation |
| author_facet |
V. F. Cabral M. Castier F. W. Tavares |
| author_sort |
V. F. Cabral |
| title |
Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation |
| title_short |
Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation |
| title_full |
Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation |
| title_fullStr |
Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation |
| title_full_unstemmed |
Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation |
| title_sort |
adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation |
| publisher |
Brazilian Society of Chemical Engineering |
| series |
Brazilian Journal of Chemical Engineering |
| issn |
0104-6632 1678-4383 |
| publishDate |
2007-12-01 |
| description |
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. |
| topic |
Adsorption Multicomponent mixtures Monte Carlo simulation |
| url |
http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322007000400012 |
| work_keys_str_mv |
AT vfcabral adsorptionequilibriumoflighthydrocarbonmixturesbymontecarlosimulation AT mcastier adsorptionequilibriumoflighthydrocarbonmixturesbymontecarlosimulation AT fwtavares adsorptionequilibriumoflighthydrocarbonmixturesbymontecarlosimulation |
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1725965639314571264 |