# Statistical mechanical model for adsorption coupled with SAFT-VR mie equation of state

Luís F. M. Franco, Ioannis G. Economou, Marcelo Castier

ARTIGO

Inglês

We extend the SAFT-VR Mie equation of state to calculate adsorption isotherms by considering explicitly the residual energy due to the confinement effect. Assuming a square-well potential for the fluid–solid interactions, the structure imposed by the fluid–solid interface is calculated using two...

We extend the SAFT-VR Mie equation of state to calculate adsorption isotherms by considering explicitly the residual energy due to the confinement effect. Assuming a square-well potential for the fluid–solid interactions, the structure imposed by the fluid–solid interface is calculated using two different approaches: an empirical expression proposed by Travalloni et al. ( Chem. Eng. Sci.65, 3088−3099, 2010), and a new theoretical expression derived by applying the mean value theorem. Adopting the SAFT-VR Mie (Lafitte et al. J. Chem. Phys., 139, 154504, 2013) equation of state to describe the fluid–fluid interactions, and solving the phase equilibrium criteria, we calculate adsorption isotherms for light hydrocarbons adsorbed in a carbon molecular sieve and for carbon dioxide, nitrogen, and water adsorbed in a zeolite. Good results are obtained from the model using either approach. Nonetheless, the theoretical expression seems to correlate better the experimental data than the empirical one, possibly implying that a more reliable way to describe the structure ensures a better description of the thermodynamic behavior

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# Statistical mechanical model for adsorption coupled with SAFT-VR mie equation of state

Luís F. M. Franco, Ioannis G. Economou, Marcelo Castier

# Statistical mechanical model for adsorption coupled with SAFT-VR mie equation of state

Luís F. M. Franco, Ioannis G. Economou, Marcelo Castier

### Fontes

Langmuir: the ACS journal of surfaces and colloids Vol. 33, no. 42 (2017), p. 11291-11298 |