Biomedical subjects

Martin Konieczny

Publications and source records attributed to Martin Konieczny.

2 recordsLinked to original sources

PubMed2006

Polyelectrolyte stars in planar confinement.

We employ monomer-resolved molecular dynamics simulations and theoretical considerations to analyze the conformations of multiarm polyelectrolyte stars close to planar, uncharged walls. We identify three mechanisms that contribute to the emergence of a repulsive star-wall force, namely, the confinement of the counterions that are trapped in the star interior, the increase in electrostatic energy due to confinement as well as a novel mechanism arising from the compression of the stiff polyelectrolyte rods approaching the wall. The latter is not present in the case of interaction between two polyelectrolyte stars and is a direct consequence of the impenetrable character of the planar wall.

Journal Article↗

PubMed2005

Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)].

We show that the two phase points considered in the recent simulations of liquid para hydrogen by Hone and Voth lie in the liquid-vapor coexistence region of a purely classical molecular dynamics simulation. By contrast, their phase point for ortho deuterium was in the one-phase liquid region for both classical and quantum simulations. These observations are used to account for their report that quantum mechanical effects enhance the diffusion in liquid para hydrogen and decrease it in ortho deuterium.(c) 2005 American Institute of Physics.

Comment↗