2001
DOI: 10.1088/0953-8984/13/21/306
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Ordering of hard particles between hard walls

Abstract: The structure of a fluid of hard Gaussian overlap particles of elongation κ = 5, confined between two hard walls, has been calculated from density-functional theory and Monte Carlo simulations. By using the exact expression for the excluded volume kernel (Velasco E and Mederos L 1998 J. Chem. Phys. 109 2361) and solving the appropriate Euler-Lagrange equation entirely numerically, we have been able to extend our theoretical predictions into the nematic phase, which had up till now remained relatively unexplore… Show more

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Cited by 59 publications
(54 citation statements)
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References 62 publications
(75 reference statements)
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“…Moreover, aspherical particles demonstrate increased ordering near the walls (an effect which is more pronounced for the smooth walls). 33,34 The smooth wall experiments, however, show that when normalized by the size and shape dependent random loose packing fraction, / l , the relative apparent viscosity shows no dependence on the particle size or shape. Comparing the nylon to SAN particles, both have a high sphericity (w ¼ 1.00 and 0.98), but the nylon particles …”
Section: -7mentioning
confidence: 97%
“…Moreover, aspherical particles demonstrate increased ordering near the walls (an effect which is more pronounced for the smooth walls). 33,34 The smooth wall experiments, however, show that when normalized by the size and shape dependent random loose packing fraction, / l , the relative apparent viscosity shows no dependence on the particle size or shape. Comparing the nylon to SAN particles, both have a high sphericity (w ¼ 1.00 and 0.98), but the nylon particles …”
Section: -7mentioning
confidence: 97%
“…However, the former makes some assumptions ͑e.g., slow director variation͒ that are invalid near a solid substrate, while the latter introduces phenomenological parameters that are not easily related to microscopic properties. Last, there have been several studies using density-functional theory ͑DFT͒, 6,7,[11][12][13] or integral equation methods. 14,15 In this paper we study a liquid-crystal fluid near a solid substrate using DFT.…”
Section: Introductionmentioning
confidence: 99%
“…A few simulation studies have considered systems of "hard" particles with contact distances given by Eqn. (1.1) ("hard Gaussian overlap particles") [20,21,22,23,24,25]. Much more commonly, however, the contact function (1.1) is used in conjunction with Lennard-Jones type interaction potentials, the Gay-Berne potential [26].…”
Section: Ellipsoidsmentioning
confidence: 99%