Adsorption of a binary mixture of adhesive fluids in planar pores: A Monte Carlo study

作者：Jamnik Andrej^*

来源：Journal of Physical Chemistry B, 2007, 111(14): 3674-3684.

DOI：10.1021/jp067026i

Grand canonical Monte Carlo simulation is used to study the adsorption of a binary sticky hard-sphere fluid mixture in planar pores. The wall-component 1 and wall-component 2 contact densities are determined to calculate the pressure as a function of the composition of the mixture and the separation between the walls. From these data dependence of the solvation force between the plates on pore width is estimated. The simulation results are compared with the predictions of the Percus-Yevick approximation for planar pores. The density profiles of particular components show interesting shapes stemming from the interplay between the steric effects and the competitive adhesion among all possible species pairs. It is shown that narrowing of the pore causes selective partitioning of individual components of the mixture between the bulk phase and the interior of the pore. The agreement between the two methods is better at wider pores and for the component comprised of weakly adhesive particles.

• 出版日期2007-4-12