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Disklike molecules with aromatic cores spontaneously stack up in linear columns with high, onedimensional charge carrier mobilities along the columnar axes, making them prominent model systems for functional, self-organized matter.We show by high-resolution optical birefringence and synchrotron-based x-ray diffraction that confining a thermotropic discotic liquid crystal in cylindrical nanopores induces a quantized formation of annular layers consisting of concentric circular bent columns, unknown in the bulk state. Starting from the walls this ring self-assembly propagates layer by layer towards the pore center in the supercooled domain of the bulk isotropic-columnar transition and thus allows one to switch on and off reversibly single, nanosized rings through small temperature variations. By establishing a Gibbs free energy phase diagram we trace the phase transition quantization to the discreteness of the layers’ excess bend deformation energies in comparison to the thermal energy, even for this near room-temperature system.
Monte Carlo simulations yielding spatially resolved nematic order parameters, density maps, and bondorientational order parameters corroborate the universality and robustness of the confinement-induced columnar ring formation as well as its quantized nature.
The effective gas diffusion coefficient describes the process of gas diffusion in porous materials. Several materials have a significant number of micropores in the lower nanometre range leading to a reduction of gas diffusion (Knudsen effect). In the case of partial pore saturation during adsorption, the available pore space is further reduced, as is the gas diffusion. In this study, the influence of partially saturated pores on the Knudsen effect and on the gas diffusion is quantified. Three different pore geometries are investigated (slit, cylindrical and spherical pores) and three different types of pore size distribution, including a broad equal distribution, three narrow normal distributions and two measured distributions of concrete.
Besides the intensive computation of the exact pore saturation, a simplified model with low computational requirements is suggested. This study shows that the influence of the water layer thickness on the effective diffusion becomes significant for pore radii below 50 nm and the assumed pore geometry is important. At the end, the overall effect is quantified for an amorphous material with most pore
radii below 30 nm. At a moisture level of 50% relative humidity, the effective diffusion is reduced by 35% due to partial saturation.