Adsorption of Lennard-Jones fluid mixture in a planar slit: a perturbative density functional approach.
A simple perturbative density functional approach is employed to investigate the adsorption behavior of a model Lennard-Jones fluid confined in a slitlike pore. Adsorption of one-component fluid as well as two-component fluid mixtures in varying pore sizes has been investigated. The results on the density profiles and the excess adsorption obtained from this theory are found to be in overall good agreement with the available computer simulation results. The results are also compared with the same from some recent weighted density based calculations.
Choudhury
N
N
Theoretical Chemistry Section, RC and CD Division, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400 085, India.
Ghosh
S K
SK