Browsing School of Chemistry by Author "Cheung, David L."
Now showing items 21-32 of 32
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Molecular dynamics study of nanoparticle stability at liquid interfaces: effect of nanoparticle-solvent interaction and capillary waves
Cheung, David L. (AIP Publishing, 2011)While the interaction of colloidal particles (sizes in excess of 100 nm) with liquidinterfaces may be understood in terms of continuum models, which are grounded in macroscopic properties such as surface and line tensions, ... -
Molecular simulation of hydrophobin adsorption at an oil-water interface
Cheung, David L. (American Chemical Society, 2012-05-16)Hydrophobins are small, amphiphilic proteins expressed by strains of filamentous fungi. They fulfill a number of biological functions, often related to adsorption at hydrophobic interfaces, and have been investigated for ... -
Molecular simulation of nanoparticle diffusion at fluid interfaces
Cheung, David L. (2010)Using molecular dynamics simulations the transport properties of a model nanoparticle in solution are studied. In bulk solvent the translational diffusion coefficients are in good agreement with previous simulation and ... -
Molecular structure and phase behaviour of hairy-rod polymers
Cheung, David L.; Troisi, Alessandro (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 ... -
Monte Carlo simulations of liquid crystals between microstructured substrates
Cheung, David L. (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 ... -
Monte Carlo simulations of liquid crystals near rough walls
Cheung, David L. (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 ... -
Morphological transitions in polymer vesicles upon bilayer swelling with small hydrophobic molecules in water
Parmenter, Christopher D. J.; Chen, Rong; Cheung, David L.; Bon, Stefan A. F. (Royal Society of Chemistry, 2013)We show that when unilamellar polymer vesicles dispersed in water made from a blockcopolymer, in this case poly((ethylene oxide)45-block-(methyl methacrylate)164), poly((ethylene oxide)45-block-(methyl methacrylate)170), ... -
Quenched-annealed density functional theory for interfacial behavior of hard rods at a hard rod matrix
Cheung, David L.; Schmidt, Matthias (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 ... -
Scaling behavior of polymers at liquid/liquid interfaces
Cheung, David L. (American Chemical Society, 2015-09-14)The dynamics of a polymer chain confined in a soft 2D slit formed by two immiscible liquids is studied by means of molecular dynamics simulations. We show that the scaling behavior of a polymer confined between two liquids ... -
Stability of Janus nanoparticles at fluid interface
Cheung, David L.; Bon, Stefan A. F. (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 ... -
Structure of molecular liquids: cavity and bridge functions of the hard spheroid fluid
Cheung, David L. (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 ... -
Thermodynamics of linear and star polymers at fluid interfaces
Taddese, Tseden; Carbone, Paola; Cheung, David L. (Royal Society of Chemistry, 2015)Performing molecular dynamics simulations on model systems we study the structural changes and thermodynamic stability of polymers of varying topology (linear and star-shaped) at interface between two liquids. We find that ...