Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation

V. F. Cabral, M. Castier, F. W. Tavares
2007 Brazilian Journal of Chemical Engineering  
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
more » ... erent adsorption energies. In all cases presented, the simulations described well the adsorption characteristics of the systems.
doi:10.1590/s0104-66322007000400012 fatcat:gsevzb75k5djnetrzpaevz4zcy