Journal article
Density functional theory for hard uniaxial particles: Complex ordering of pear-shaped and spheroidal particles near a substrate
The Journal of Chemical Physics, Vol.148(12)
2018
Abstract
We develop a density functional for hard particles with a smooth uniaxial shape (including non-inversion-symmetric particles) within the framework of fundamental measure theory. By applying it to a system of tapered, aspherical liquid-crystal formers, reminiscent of pears, we analyse their behaviour near a hard substrate. The theory predicts a complex orientational ordering close to the substrate, which can be directly related to the particle shape, in good agreement with our simulation results. Furthermore, the lack of particle inversion-symmetry implies the possibility of alternating orientations in subsequent layers as found in a smectic/lamellar phase of such particles. Both theory and Monte Carlo simulations confirm that such ordering occurs in our system. Our results are relevant for adsorption processes of asymmetric colloidal particles and molecules at hard interfaces and show once again that tapering strongly affects the properties of orientationally ordered phases.
Details
- Title
- Density functional theory for hard uniaxial particles: Complex ordering of pear-shaped and spheroidal particles near a substrate
- Authors/Creators
- P.W.A. Schönhöfer (Author/Creator) - Friedrich-Alexander-Universität Erlangen-NürnbergG.E. Schröder-Turk (Author/Creator) - Murdoch UniversityM. Marechal (Author/Creator) - Friedrich-Alexander-Universität Erlangen-Nürnberg
- Publication Details
- The Journal of Chemical Physics, Vol.148(12)
- Publisher
- American Institute of Physics
- Identifiers
- 991005541282807891
- Copyright
- © 2018 AIP Publishing LLC.
- Murdoch Affiliation
- School of Engineering and Information Technology
- Language
- English
- Resource Type
- Journal article
UN Sustainable Development Goals (SDGs)
This output has contributed to the advancement of the following goals:
Source: InCites
Metrics
22 Record Views
InCites Highlights
These are selected metrics from InCites Benchmarking & Analytics tool, related to this output
- Collaboration types
- Domestic collaboration
- International collaboration
- Citation topics
- 2 Chemistry
- 2.89 Ionic, Molecular & Complex Liquids
- 2.89.72 Vapor-Liquid Equilibria
- Web Of Science research areas
- Chemistry, Physical
- Physics, Atomic, Molecular & Chemical
- ESI research areas
- Chemistry