Second-Virial Onsager Theory and Its Limitations in the Prediction of the Ordering Transitions of Confined Hard Rods between Two Parallel Hard Walls

We studied the phase behavior of hard rectangular rods with edge lengths L, D, and D. All the calculations have been carried out through Onsager second virial theory within the three-state Zwanzig approximation. The uniaxial paranematic-biaxial paranematic (PU–PB) and the biaxial paranematic-biaxial...

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Bibliographic Details
Published in:Journal of the Physical Society of Japan 2020-11, Vol.89 (11), p.114601
Main Authors: Ghazi, Seyed Mohammad, Behzadi, Fahimeh, Aliabadi, Roohollah
Format: Article
Language:English
Subjects:
Aspect ratio
Mathematical analysis
Phase transitions
Rods
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Summary:We studied the phase behavior of hard rectangular rods with edge lengths L, D, and D. All the calculations have been carried out through Onsager second virial theory within the three-state Zwanzig approximation. The uniaxial paranematic-biaxial paranematic (PU–PB) and the biaxial paranematic-biaxial nematic (PB–NB) phase transitions have been calculated for a wide range of wall-to-wall distances (10 ≤ H/D ≤ 100) while for each pore width, the aspect ratios (L/D) of the particles are changing. By increasing the aspect ratio, a fast decrement in both the transitions is observed for L < H/3. In this study, we could find the PB–NB transition neither for H/D ≤ 29.00 nor L/D ≤ 7.50. Moreover, despite all efforts, we could not find the PU–PB transition for L/D ≤ 6.69 in the entire studied range of H/D.
ISSN:0031-9015
1347-4073
DOI:10.7566/JPSJ.89.114601