Phase behavior of a fluid confined in slitlike pores with walls modified by preadsorbed chain molecules.
We have studied the microscopic structure, thermodynamics of adsorption, and phase behavior of Lennard-Jones fluid in slitlike pores with walls modified due to preadsorption of chain molecules. The chain species are grafted at the walls by terminating segments. Our theoretical considerations are based on a density functional approach in the semigrand canonical ensemble. The applied constraint refers to the constant number of grafted chain molecules in the pore without restriction of the number of chains at each of the walls. We have observed capillary condensation of Lennard-Jones fluid combined with the change of the distribution of chains from nonsymmetric to symmetric with respect to the pore walls. The phase diagrams of the model are analyzed in detail, dependent on the pore width, length of chains, and grafted density.
Pizio
O
O
Instituto de Química de la UNAM, Coyoacán 04510, Mexico.
Borówko
M
M
Rzysko
W
W
Staszewski
T
T
Sokołowski
S
S