Demixing, surface nematization, and competing adsorption in binary mixtures of hard rods and hard spheres under confinement

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F18%3A43917725" target="_blank" >RIV/60461373:22340/18:43917725 - isvavai.cz</a>
Alternative codes found
RIV/67985858:_____/18:00497907
Result on the web
<a href="https://aip.scitation.org/doi/10.1063/1.5020002" target="_blank" >https://aip.scitation.org/doi/10.1063/1.5020002</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1063/1.5020002" target="_blank" >10.1063/1.5020002</a>

Result language
angličtina
Original language name
Demixing, surface nematization, and competing adsorption in binary mixtures of hard rods and hard spheres under confinement
Original language description
A molecular simulation study of binary mixtures of hard spherocylinders (HSCs) and hard spheres (HSs) confined between two structureless hard walls is presented. The principal aim of the work is to understand the effect of the presence of hard spheres on the entropically driven surface nematization of hard rod-like particles at surfaces. The mixtures are studied using a constant normal-pressure Monte Carlo algorithm. The surface adsorption at different compositions is examined in detail. At moderate hard-sphere concentrations, preferential adsorption of the spheres at the wall is found. However, at moderate to high pressure (density), we observe a crossover in the adsorption behavior with nematic layers of the rods forming at the walls leading to local demixing of the system. The presence of the spherical particles is seen to destabilize the surface nematization of the rods, and the degree of demixing increases on increasing the hard-sphere concentration.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Project
<a href="/en/project/GA16-12291S" target="_blank" >GA16-12291S: Hierarchical approach to the study of solid-fluid equilibria in complex system: theory, simulation and experiment</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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