caa a22 4500 475760719 CHVBK 20180406123550.0 cr unu---uuuuu 170329e20000401xx s 000 0 eng 10.1007/BF02495471 doi (NATIONALLICENCE)springer-10.1007/BF02495471 Calculations of the distribution of trace impurities in cylindrical pores [Elektronische Daten] [Yu. Tovbin, E. Votyakov] The equilibrium distribution of a trace impurity and the self-diffusion coefficients of molecules of the base component and the trace impurity in narrow cylindrical pores were calculated using the lattice-gas model. Two types of lattice structures with six and eight closest neighbors were considered. The sizes of the base component and impurity molecules were taken to be identical. Lateral interactions were taken into account in the quasi-chemical approximation. The equilibrium distributions of the trace impurity across a pore section in the gas and liquid phases of the base component and at the interface for the case of capillary condensation were considered. The probability of existence of isolated dimeric clusters was estimated and the self-diffusion coefficients of the base component and trace impurity for a single-phase distribution of the base component were calculated. The effects of the energy of interaction of impurities with the pore walls and the concentration of the base component on the diffusion mobility of the impurities were analyzed. The concentration dependences of the partition coefficient for the trace impurity between the pore center and the pore wall and the concentration dependences of the self-diffusion coefficients for the trace impurity molecules become nonmonotonic with an increase in the base component concentration. These effects are due to the displacement of the impurity from the near-surface area to the bulk of a pore following an increase in the pore coverage by the base component and to higher mobility of the impurity in the free bulk of the pore. Further filling of the pore bulk reduces the mobility of all molecules. The energetics of intermolecular interactions also plays a certain role. Kluwer Academic/Plenum Publishers, 2000 cylindrical pores nationallicence adsorption nationallicence trace impurity nationallicence phase interface nationallicence clusters nationallicence self-diffusion coefficient nationallicence lattice-gas model nationallicence quasi-chemical approximation nationallicence Tovbin Yu State Research Center of the Russian Federation "L. Ya. Karpov Institute of Physical Chemistry”, 10 ul. Vorontsovo Pole, 103064, Moscow, Russian Federation aut Votyakov E. State Research Center of the Russian Federation "L. Ya. Karpov Institute of Physical Chemistry”, 10 ul. Vorontsovo Pole, 103064, Moscow, Russian Federation aut Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/4(2000-04-01), 609-619 1066-5285 49:4<609 2000 49 11172 https://doi.org/10.1007/BF02495471 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02495471 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Tovbin Yu State Research Center of the Russian Federation "L. Ya. Karpov Institute of Physical Chemistry”, 10 ul. Vorontsovo Pole, 103064, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Votyakov E. State Research Center of the Russian Federation "L. Ya. Karpov Institute of Physical Chemistry”, 10 ul. Vorontsovo Pole, 103064, Moscow, Russian Federation aut NATIONALLICENCE 773 0- Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/4(2000-04-01), 609-619 1066-5285 49:4<609 2000 49 11172 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer