Abstract
Adsorption of short linear heteropolymers in slitlike pores is studied using the density functional theory and Monte Carlo simulations. The molecules are assumed to be freely jointed tangent hard spheres. The segments have different affinity with regard to the walls. Each molecule contains one surface-binding segment that interacts with the walls via Lennard–Jones ( 3 , 9 ) potential and a number of segments interacting with surfaces via the hard-wall potentials. A position of the surface-binding segment in the chain can be arbitrarily chosen. We have studied the influence of the pore width, the chain length and the chemical structure of molecules on adsorption and the microscopic structure of the confined fluid. The theoretical predictions are compared with Monte Carlo simulations carried out for different ‘isomeric’ pentamers.
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