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Approximation of contacts for calculating the velocity of the thermal motion of rodlike molecules in narrow slitlike pores
Authors:Yu. K. Tovbin
Affiliation:(1) Karpov Research Institute of Physical Chemistry (State Scientific Center of the Russian Federation), ul. Vorontsovo pole 10, Moscow, 105064, Russia
Abstract:Expressions for calculating the thermal velocities of the motion of rodlike molecules in slitlike pores were obtained within the framework of a lattice gas model valid over a wide range of fluid densities (from rarefied gases to liquids) and temperatures, including the critical region. The translational and rotational motion of molecules was described using the transition-state theory for nonideal reaction systems, which takes into account the effect of the neighboring molecules on the activation barrier height. The local distributions of the components of the mixture under equilibrium conditions were calculated by describing lateral interactions in the approximation of isolated contacts. The equations of the model reflect the fact that the distributions of the components in the direction perpendicular to the pore walls (due to the effect of adsorption forces) and along the pore axis (if capillary condensation occurs) exhibit a strong anisotropy.
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