Summary
The process of mesophase formation of rodlike molecule, imogolite, was simulated by comparing the distance distribution function computed from models with that obtained by the Fourier-transformation of small angle X-ray scattering data. In the initial state below A-point (defined as a starting point of mesophase formation), imogolite molecules assemble into loosely packed hexagonal shape with their ends aligned in a line. The columns composed of hexagonal packing are arrnaged side by side to form raft-like sheets near the A-point and finally form mesophase above A-point.
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Hoshino, H., Urakawa, H., Donkai, N. et al. Simulation of mesophase formation of rodlike molecule, imogolite. Polymer Bulletin 36, 257–264 (1996). https://doi.org/10.1007/BF00294915
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DOI: https://doi.org/10.1007/BF00294915