Biomedical subjects

Jordi Faraudo

Publications and source records attributed to Jordi Faraudo.

5 recordsLinked to original sources

PubMed2005

Origin of the short-range, strong repulsive force between ionic surfactant layers.

We study the electrostatic interaction between two ionic surfactant layers by performing molecular dynamic simulations of salt-free thin water films coated by surfactants (Newton black films). We find a strong exponentially decaying short-range repulsion not explained by classical Poisson-Boltzmann theory. This electrostatic force is shown to be mainly due to the anomalous dielectric response of water near charged surfactant layers. This result clarifies the much debated physical mechanism underlying the controversial "hydration forces" observed in experiments. In the case of ionic thin films, the "hydration forces" can be identified with the electrostatic forces induced by the layers of highly polarized water originated at the interfaces.

Computer Simulation↗

PubMed2004

Anomalous dielectric behavior of water in ionic newton black films.

The electrostatics of two charged surfactant layers in aqueous media (surfactant/water/surfactant films) is investigated using molecular dynamics simulations. In the films studied (with a surfactant-surfactant distance from approximately 35 A to contact) we observe an anomalous dielectric response of water. The electrostatic potential phi(z) inside the aqueous core of the films (containing bulk water with rho=1 g/cm(3)) is completely different from that expected for a film containing a dielectric medium with the dielectric constant of water. In addition, our results are not consistent with a local relation between the water polarization P(z)(z) and the electric field E(z)(z). The polarization P(z)(z) is maximum at the interfaces (due to solvent molecules forming part of the structure of the surfactant layers) and decays from the interfaces inside the aqueous core with a decay length of order of approximately 10 A.

Journal Article↗

PubMed2004

Computer simulation studies of Newton black films.

We study via molecular dynamics simulations thin films (Newton black films, NBF) consisting of water coated with sodium dodecyl sulfate (SDS) surfactants. We analyze in detail the film properties (distribution of particles, pair correlation functions, roughness of the film, tilt angle of the hydrocarbon chain, electron density profiles, and mobility of water molecules) as a function of water content in the film core (i.e., film thickness, H). Our simulations indicate that water is part of the bilayer structure as solvation water. We estimate that around 2.25 water molecules per surfactant are part of this solvation structure. The structural analysis of the NBF shows that the headgroups exhibit a high degree of in-plane ordering. We find evidence for the existence of cavities in the monolayer, where only water is present. The basic structure of the monolayer is conserved down to water contents of the order of 4 water molecules per surfactant (H approximately equal to 11 A). The computed monolayer roughness for the present model is 2.5 A, in good agreement with the experimental data. We find that the roughness is very sensitive to the details of the interatomic potentials. Water mobility calculations emphasize the sluggish dynamics of very thin NBF. Diffusion coefficients of water in the lateral direction strongly decrease with film thickness. We find that the typical mean squared displacement of water in the direction normal to the bilayer is between 9 and 80 A2. Overall, our results indicate that the equilibrium SDS Newton black films studied in the X-ray experiments contain from 2 to 4 water molecules per surfactant.

Journal Article↗

PubMed2002

New cooperative effects in ballistic deposition of hard disks.

In this Letter, we analyze the problem of monolayer formation onto a flat surface by deposition of hard particles. Our detailed computer simulations of ballistic deposition of hard disks show significant deviations from the classical analytical solution obtained by J. Talbot [Phys. Rev. Lett. 68, 958 (1992)]. These deviations are due to cooperative adsorption induced by particles trapped above the adsorbed layer. We show that not only the adsorption kinetics but also the jamming (saturation) coverage of the surface depends on the volume fraction of the suspension, a prediction which is completely new. These new cooperative effects cannot be neglected even in the case of very diluted suspensions.

Journal Article↗

PubMed2002

Computer simulation study of irreversible adsorption: coverage fluctuations.

In this paper, we develop a cellular automata model to study the coverage fluctuations in monolayers of irreversible adsorbed particles. The effect of bulk diffusion and excluded volume interactions between adsorbed and incoming particles on coverage fluctuations is analyzed by simulations and analytically. We also show that the macroscopic boundary and initial conditions imposed at the system (open or closed cell) determine the effect of these factors on coverage fluctuations. In fact, under certain conditions, the excluded volume interactions only influence fluctuations near the jamming limit.

Journal Article↗