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Adsorption of the natural protein surfactant Rsn-2 onto liquid interfaces
(Royal Society of Chemistry, 2017-02-27)
To stabilize foams, droplets, and films at liquid interfaces nature has evolved a range of protein biosurfactants. Compared to synthetic surfactants, these combine surface activity with biocompatibility and low solution ...
Design principles for the formation of ordered patterns in binary mixtures of colloidal particles on spherical droplets
(Elsevier, 2017-03-11)
We elucidate the design principles for the formation of ordered structures formed by binary mixtures of particles on spherical surfaces, such as emulsion droplets, polymer vesicles, and col- loidal nanoparticles. Using ...
Molecular simulation of nanoparticle diffusion at fluid interfaces
(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 ...
Scaling behavior of polymers at liquid/liquid interfaces
(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 ...
Conformations of myoglobin-derived peptides at the air-water interface
(NUI Galway, 2016-12-12)
Simulation files, analysis scripts, and output data to accompany article:
Cheung, David L. (2016). Conformations of Myoglobin-Derived Peptides at the Air–Water Interface. Langmuir, 32(18), 4405-4414. doi: 10.1021/acs.la ...
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 ...
Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states: A lattice-model view
(American Institute of Physics, 2016-04-07)
The self-assembly of molecules on surfaces into 2D structures is important for the bottom-up fabrication of functional nanomaterials, and the self-assembledstructure depends on the interplay between molecule-molecule ...
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 ...
Experimental and computational examination of anastellin (FnIII1c)-polymer interactions
(Wiley, 2016-10-24)
Using a combination of experimental and computational approaches, the
interaction between anastellin, a recombinant fragment of fibronectin, and representative
biomaterial surfaces has been examined. Anastellin and ...
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 ...