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Interaction of nanoparticles with ideal liquid-liquid interfaces
(2009)
Using molecular simulations the interaction between a noncharged nanoparticle and an ideal liquid-liquid interface is studied. The free energy profile as function of nanoparticle-interface separation is determined using ...
Liquid-crystal-mediated force between a cylindrical nanoparticle and substrate
(American Physical Society, 2007-10-25)
Using classical density functional theory, the structure of a molecular fluid around a cylindrical nanoparticle near a solid substrate is studied. The solvent-mediated force between the nanoparticle and the substrate is ...
Structure of molecular liquids: cavity and bridge functions of the hard spheroid fluid
(American Physical Society, 2006-06-28)
We present methodologies for calculating the direct correlation function c(1,2), the cavity function y(1,2), and the bridge function b(1,2), for molecular liquids, from Monte Carlo simulations. As an example we present ...
Molecular structure and phase behaviour of hairy-rod polymers
(Royal Society of Chemistry, 2009)
Using dissipative particle dynamics simulations the relationship between molecular architecture and phase behaviour in model hairy-rod polymers is studied. In agreement with experimental and theoretical studies the phase ...
Stability of Janus nanoparticles at fluid interface
(Royal Society of Chemistry, 2009)
Using Monte Carlo simulations the interaction of a nanometre-sized, spherical Janus particle (a particle with two distinct surface regions of different functionality, in this case showing amphiphilic behaviour) with an ...
Monte Carlo simulations of liquid crystals between microstructured substrates
(American Institute of Physics, 2008)
The structure of a model liquid crystalline fluid confined between two microstructured substrates is studied through Monte Carlo simulations. A simple model for a structured substrate, similar in spirit to those used for ...
Quenched-annealed density functional theory for interfacial behavior of hard rods at a hard rod matrix
(AIP Publishing, 2009)
We consider a system of mobile hard rods that are immersed in an isotropic matrix of hard rods with quenched positions and orientations. Using quenched-annealed density functional theory the disorder-averaged excess free ...
Monte Carlo simulations of liquid crystals near rough walls
(American Institute of Physics, 2005-02-15)
The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modeled as a fluid of soft ellipsoidal molecules and the ...
Effect of substrate geometry on liquid-crystal-mediated nanocylinder-substrate interactions
(American Institute of Physics, 2008)
Using classical density functional theory, the liquid crystal (LC)-mediated interaction between a cylindrical nanoparticle and a structured substrate is studied. The surface is structured by cutting a rectangular groove ...