Biomedical subjects

P González-Mozuelos

Publications and source records attributed to P González-Mozuelos.

4 recordsLinked to original sources

PubMed2006

A simple phenomenological fix for the dielectric constant within the reference interaction site model approach.

The effective interactions among ions immersed in water are studied by means of the effective pair potentials (EPPs) [J. Chem. Phys. 2002, 117, 6133] obtained after contracting (integrating out) the degrees of freedom of the solvent molecules. The dressed interaction site theory (DIST) leads to a simple way of adjusting the effective dielectric constant of the model solvent to its experimental value at standard conditions. The molecular structure of the solvent is mirrored in the structure of the short-ranged component of the induced EPPs, with noticeable differences between the cases with trivial (ideal gas) and nontrivial (experimental) values of the dielectric constant. The shape of these EPPs remains almost invariant over the whole range of salt concentrations considered here. The asymptotic behavior of the EPP between two macroions obtained after contracting the supporting electrolyte (water molecules plus small ions) is also briefly discussed.

Journal Article↗

PubMed2005

A reference interaction site model approach to depletion forces induced by hard rodlike particles.

We study the effective interactions among large hard spherical colloidal particles induced by small hard rodlike particles and compare them with those induced by small hard spherical particles to highlight the specific effects due to the anisotropic shape of the former. This is done by determining the effective pair potentials within the framework of the reference interaction site model approach. The rodlike particles are modeled as N nonoverlapping spherical units arranged in a straight line, so that their total length is N times their transversal diameter. These results are compared against those obtained in the Asakura-Oosawa limit.

Journal Article↗

PubMed2005

Molecular multivalent electrolytes: microstructure and screening lengths.

We study small rod-like molecular electrolytes solutions with their corresponding atomic counterions. The asymptotic length scales (decay length and wavelength) of the structural correlations are analyzed using the formalism of the dressed interaction site theory (DIST). The correlation functions are determined using the reference interaction site model equation complemented with a mixed approach in which the hypernetted-chain closure is used for the repulsive interactions, and the mean spherical approximation is used for the attractive interactions. The results from this scheme are in good agreement with the Monte Carlo computer simulations reported here. The asymptotic properties of the correlation functions of this molecular system are compared against those corresponding to two related simple (atomic) electrolyte models. The main conclusion is that the molecular structure of the ions lowers by two orders of magnitude the concentration at which the transition from monotonic to oscillatory decay occurs.

Electrolytes↗

PubMed2001

Energetic contributions to wall-particle depletion forces.

Recently, depletion forces were accounted for by a contraction of the description based on the integral equations theory of simple liquids [Phys. Rev. E 61, 4095 (2000)]. The extension of those results to the case of inhomogeneous systems is reported here. Besides, the energetic contributions to the wall-particle depletion forces are studied, as they arise as soon as charge is put on some of the components of a binary mixture of hard spheres on the front of a hard wall. By charging the small particles the amplitude of the depletion attraction between wall and large particles is reduced, and can even become a repulsion. A similar effect is observed if an attractive interaction between wall and small particles is present.

Journal Article↗